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79-43-6 Usage

General Description

2,2-Dichloroacetic acid (also known as dichloroacetic acid or DCA) is a colorless liquid chemical compound that has a pungent odor. It is largely used in the pharmaceutical industry, wood preservation, pyrotechnics, and as a chemical reagent. It is synthetically produced and is considered highly corrosive. 2,2-Dichloroacetic acid exhibits useful biological activity and has been used in medical treatments, particularly in the treatment of lactic acidosis and cancers. However, exposure to dichloroacetic acid can be hazardous as it can cause irritation to the skin and eyes, can be toxic if inhaled or ingested, and is potentially carcinogenic.

Check Digit Verification of cas no

The CAS Registry Mumber 79-43-6 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 7 and 9 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 79-43:
(4*7)+(3*9)+(2*4)+(1*3)=66
66 % 10 = 6
So 79-43-6 is a valid CAS Registry Number.
InChI:InChI=1/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

79-43-6 Well-known Company Product Price

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  • Detail
  • Alfa Aesar

  • (A14740)  Dichloroacetic acid, 99%   

  • 79-43-6

  • 100g

  • 175.0CNY

  • Detail
  • Alfa Aesar

  • (A14740)  Dichloroacetic acid, 99%   

  • 79-43-6

  • 500g

  • 337.0CNY

  • Detail
  • Alfa Aesar

  • (A14740)  Dichloroacetic acid, 99%   

  • 79-43-6

  • 2500g

  • 1181.0CNY

  • Detail
  • Alfa Aesar

  • (31249)  Dichloroacetic acid, 99+%   

  • 79-43-6

  • 250g

  • 384.0CNY

  • Detail
  • Alfa Aesar

  • (31249)  Dichloroacetic acid, 99+%   

  • 79-43-6

  • 1kg

  • 668.0CNY

  • Detail
  • Sigma-Aldrich

  • (36545)  Dichloroaceticacid  PESTANAL®, analytical standard

  • 79-43-6

  • 36545-1G

  • 324.09CNY

  • Detail
  • Sigma-Aldrich

  • (D54702)  Dichloroaceticacid  ReagentPlus®, ≥99%

  • 79-43-6

  • D54702-100ML

  • 274.95CNY

  • Detail
  • Sigma-Aldrich

  • (D54702)  Dichloroaceticacid  ReagentPlus®, ≥99%

  • 79-43-6

  • D54702-500ML

  • 714.87CNY

  • Detail
  • Sigma-Aldrich

  • (D54702)  Dichloroaceticacid  ReagentPlus®, ≥99%

  • 79-43-6

  • D54702-2.5L

  • 1,739.79CNY

  • Detail

79-43-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name dichloroacetic acid

1.2 Other means of identification

Product number -
Other names Dichloroacetic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:79-43-6 SDS

79-43-6Synthetic route

ethyl 1,1-dichloroacetate
535-15-9

ethyl 1,1-dichloroacetate

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With bis(tri-n-butyltin)oxide In benzene at 80℃; for 10h; other esters, other solvents, other temperatures and reaction times;100%
With bis(tri-n-butyltin)oxide In benzene at 80℃; for 10h;100%
With 2,2'-azobis(isobutyronitrile); bis(tri-n-butyltin)oxide In benzene at 80℃; for 1.5h;100 % Spectr.
dichloromethane
75-09-2

dichloromethane

carbon dioxide
124-38-9

carbon dioxide

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
Stage #1: dichloromethane With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex In tetrahydrofuran; toluene at -78℃; for 0.5h; Inert atmosphere;
Stage #2: carbon dioxide In tetrahydrofuran; toluene at -78℃; for 3h;
100%
acetic anhydride
108-24-7

acetic anhydride

acetic acid
64-19-7

acetic acid

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

chloroacetic acid
79-11-8

chloroacetic acid

Conditions
ConditionsYield
With iron(III) chloride; chlorine at 95℃; Reagent/catalyst; Concentration; Time; Microwave irradiation;A 1.86%
B 98.11%
1,1,2-trichloroethane
79-00-5

1,1,2-trichloroethane

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

2,2-dichloroacetaldehyde
79-02-7

2,2-dichloroacetaldehyde

C

chloroacetic acid
79-11-8

chloroacetic acid

Conditions
ConditionsYield
With dihydrogen peroxide; iron(III) perchlorate In water at 25℃; pH=2.8; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation;A 5.2%
B 4.4%
C 16%
Trichloroethylene
79-01-6

Trichloroethylene

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With dihydrogen peroxide; iron(III) perchlorate In water at 25℃; pH=2.80; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation;2.7%
With air; titanium(IV) oxide In water at 22℃; Kinetics; Further Variations:; Solvents; Reagents; Oxidation; Photolysis;
1,1,2,2-tetrachloroethylene
127-18-4

1,1,2,2-tetrachloroethylene

2

2

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

trichloroacetic acid
76-03-9

trichloroacetic acid

Conditions
ConditionsYield
With dihydrogen peroxide In water at 25℃; pH=2.8; Product distribution; Further Variations:; Reagents; Oxidation; UV-irradiation;A 0.18%
B 0.11%
pyrrole
109-97-7

pyrrole

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With sodium hypochlorite
dichloroacethyl chloride
79-36-7

dichloroacethyl chloride

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With water Hydrolysis;
With acetic acid unter Abdestillieren des entstehenden Acetylchlorids, zuletzt unter Einleiten von HCl;
With water In acetone at -50 - -20℃; Kinetics;
3,5-dihydroxyphenol
108-73-6

3,5-dihydroxyphenol

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

1,1,3,3-tetrachloropropanone
632-21-3

1,1,3,3-tetrachloropropanone

Conditions
ConditionsYield
With chlorine
1,1,2,2-tetrachloroethylene
127-18-4

1,1,2,2-tetrachloroethylene

sodium ethanolate
141-52-6

sodium ethanolate

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
at 120℃; Bildung von Dichloressigester;
chloral hydrate
302-17-0

chloral hydrate

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With potassium cyanide
With water; potassium ferrocyanide
ethyl 3,3,3-trichloro-2-hydroxypropanoate

ethyl 3,3,3-trichloro-2-hydroxypropanoate

furan-2,3,5(4H)-trione pyridine (1:1)

furan-2,3,5(4H)-trione pyridine (1:1)

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

tartronic acid
80-69-3

tartronic acid

ethanol
64-17-5

ethanol

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
beim Chlorieren entsteht Dichloressigester;
pentachloroethane
76-01-7

pentachloroethane

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With sulfuric acid at 168℃;
With sulfuric acid at 168℃;
2,2-dichloroacetaldehyde
79-02-7

2,2-dichloroacetaldehyde

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With nitric acid
1,1-dichloro-2-nitroethane
56813-76-4

1,1-dichloro-2-nitroethane

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With sulfuric acid at 100℃;
dichloro-pyruvonitrile
408352-31-8

dichloro-pyruvonitrile

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

hydrogen cyanide
74-90-8

hydrogen cyanide

Conditions
ConditionsYield
Hydrolysis;
2-acetoxy-3,3-dichloro-acrylonitrile
861794-62-9

2-acetoxy-3,3-dichloro-acrylonitrile

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With water
tetrachloro-cyclopent-4-ene-1,3-dione
15743-13-2

tetrachloro-cyclopent-4-ene-1,3-dione

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

2,3-dichloro-acrylic acid
13167-36-7

2,3-dichloro-acrylic acid

Conditions
ConditionsYield
With sodium hydroxide; ethanol
ethyl acetoacetate
141-97-9

ethyl acetoacetate

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With calcium hypochlorite; water
acetic acid
64-19-7

acetic acid

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With iodine beim Chlorieren;
ethanol
64-17-5

ethanol

potassium cyanide
151-50-8

potassium cyanide

chloral
75-87-6

chloral

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
Bildung von Dichloressigsaeureaethylester;
sodium cyanide
143-33-9

sodium cyanide

chloral
75-87-6

chloral

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With water
With diethyl ether; water; calcium carbonate at 80 - 85℃; dann schliesslich auf 98-100grad, fuegt man konz.Salzsaeure hinzu und aethert aus;
chloral
75-87-6

chloral

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With sodium cyanide
chloral
75-87-6

chloral

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

hydrogen cyanide
74-90-8

hydrogen cyanide

Conditions
ConditionsYield
With potassium cyanide; water
chloroacetic acid
79-11-8

chloroacetic acid

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With chlorine
acetylene
74-86-2

acetylene

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With hypochloric acid at 75 - 80℃;
trichloroacetic acid
76-03-9

trichloroacetic acid

dichloro-acetic acid
79-43-6

dichloro-acetic acid

Conditions
ConditionsYield
With perchloric acid; vanadium (2+) In water; tert-butyl alcohol at 30℃; Kinetics; Thermodynamic data; other solvents, other temperatures, dependence on pH and on mol fraction of alcohol; ΔH(excit.) and ΔS(excit.);
With copper
With copper; benzene
1,1,1,2-tetrachoroethane
630-20-6

1,1,1,2-tetrachoroethane

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

trichloroacetic acid
76-03-9

trichloroacetic acid

Conditions
ConditionsYield
With oxygen; titanium(IV) oxide In water Mechanism; Rate constant; Ambient temperature; Irradiation; dependence on O2 concentration, pH;
Trichloroethylene
79-01-6

Trichloroethylene

A

dichloro-acetic acid
79-43-6

dichloro-acetic acid

B

dichloroacethyl chloride
79-36-7

dichloroacethyl chloride

C

1,1,3,3,4,4,-hexachloro-1-butene
34973-39-2

1,1,3,3,4,4,-hexachloro-1-butene

Conditions
ConditionsYield
In neat (no solvent) at 130℃; Product distribution; effect of the time and the temp.;
dichloro-acetic acid
79-43-6

dichloro-acetic acid

ethanethiol
75-08-1

ethanethiol

glyoxalic acid ethylthioacetal
10490-06-9

glyoxalic acid ethylthioacetal

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 25℃;100%
With sodium hydride In tetrahydrofuran
C72H64N8S4(2-)*C2H2Cl2O2*Fe(2+)

C72H64N8S4(2-)*C2H2Cl2O2*Fe(2+)

dichloro-acetic acid
79-43-6

dichloro-acetic acid

C72H64N8S4(1-)*C2H2Cl2O2*C2HCl2O2(1-)*Fe(2+)

C72H64N8S4(1-)*C2H2Cl2O2*C2HCl2O2(1-)*Fe(2+)

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene100%
With oxygen In 1,2-dichloro-benzene at 20℃; for 15h; Kinetics;
dichloro-acetic acid
79-43-6

dichloro-acetic acid

imatinib
152459-95-5

imatinib

4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]benzamide dichloroacetate
1313492-09-9

4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]benzamide dichloroacetate

Conditions
ConditionsYield
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity;100%
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity;100%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

C25H36N2O6

C25H36N2O6

C25H36N2O6*C2H2Cl2O2

C25H36N2O6*C2H2Cl2O2

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 3h;100%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

C24H33NO7

C24H33NO7

C24H33NO7*C2H2Cl2O2

C24H33NO7*C2H2Cl2O2

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 3h;100%
titanium(IV) isopropylate
546-68-9

titanium(IV) isopropylate

dichloro-acetic acid
79-43-6

dichloro-acetic acid

A

Ti(OiPr)3(OOCCHCl2)
282535-92-6

Ti(OiPr)3(OOCCHCl2)

B

Ti(OiPr)2(OOCCHCl2)2

Ti(OiPr)2(OOCCHCl2)2

Conditions
ConditionsYield
In toluene byproducts: 2-propanol; a soln. of the acid in toluene added dropwise with stirring to a soln. of Ti(OiPr)4 in toluene (1:1 stoichiometric ratio) over 1/2 h at room temp., react. mixt. stirred for 6 h to give a light red soln.; volatiles removed in vacuo, solid residue given, elem. anal.;A 99.9%
B 99.3%
tetrabutoxytitanium

tetrabutoxytitanium

dichloro-acetic acid
79-43-6

dichloro-acetic acid

2C4H9O(1-)*2CHCl2COO(1-)*Ti(4+)=Ti(OC4H9)2(CHCl2COO)2

2C4H9O(1-)*2CHCl2COO(1-)*Ti(4+)=Ti(OC4H9)2(CHCl2COO)2

Conditions
ConditionsYield
In toluene (Ar); Schlenk techniques; toluene soln. of CHCl2COOH added dropwise to toluene soln. of Ti(OBu)4 over 30 min at 25.degrgee.C; stirred for 8 h; vac. evapn.; elem. anal.;99.8%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

Zr(isopropoxide)4(HOiPr)
14717-56-7

Zr(isopropoxide)4(HOiPr)

Zr(O(i)Pr)2(OOCCHCl2)(HO(i)Pr)

Zr(O(i)Pr)2(OOCCHCl2)(HO(i)Pr)

Conditions
ConditionsYield
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; elem. anal.;99.5%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

Zr(isopropoxide)4(HOiPr)
14717-56-7

Zr(isopropoxide)4(HOiPr)

Zr2(μ-O(i)Pr)2(μ-OOCCHCl2)(O(i)Pr)4(OOCCHCl2)(HO(i)Pr)
914462-25-2

Zr2(μ-O(i)Pr)2(μ-OOCCHCl2)(O(i)Pr)4(OOCCHCl2)(HO(i)Pr)

Conditions
ConditionsYield
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; elem. anal.;99.3%
In toluene soln. Cl2HCCOOH in toluene was added dropwise to soln. Zr complex in toluene over 30 min at room temp. and stirred for 6 h; solvent was removed in vacuo, residue was dissolved in toluene and crystd. at -20°C; elem. anal.;69%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

aniline
62-53-3

aniline

N-phenyl-2,2-dichloroacetamide
2563-99-7

N-phenyl-2,2-dichloroacetamide

Conditions
ConditionsYield
With covalent organic polymer from p-aminophenol and cyanuric chloride In 1,4-dioxane at 20℃; for 0.5h;99%
Stage #1: dichloro-acetic acid; aniline With dmap In dichloromethane at 20℃; for 0.5h;
Stage #2: With dicyclohexyl-carbodiimide In dichloromethane for 2h;
95%
With Tri-n-octylamine; benzenesulfenyl chloride In dichloromethane at 20℃; pH=6.5 - 7.0;42%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

C80H84N6O19

C80H84N6O19

C60H68N6O18*C2H2Cl2O2

C60H68N6O18*C2H2Cl2O2

Conditions
ConditionsYield
With methoxybenzene In dichloromethane for 1h; Ambient temperature;99%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

benzylamine
100-46-9

benzylamine

N-benzyl-2,2-dichloroacetamide
6063-50-9

N-benzyl-2,2-dichloroacetamide

Conditions
ConditionsYield
With zirconium(IV) chloride In tetrahydrofuran at 70℃; for 24h; Molecular sieve; Inert atmosphere;99%
With bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran at 70℃; for 8h; Molecular sieve; Sealed tube; Inert atmosphere;99%
With bis(cyclopentadienyl)hafnium dichloride In diethyl ether at 26℃; for 1.5h; Molecular sieve;92%
Stage #1: dichloro-acetic acid With titanium(IV) isopropylate In tetrahydrofuran at 40 - 70℃; Molecular sieve; Inert atmosphere;
Stage #2: benzylamine In tetrahydrofuran at 70℃; Molecular sieve; Inert atmosphere;
75%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

titanium tetra(sec-butoxide)
873376-17-1

titanium tetra(sec-butoxide)

C12H20Cl4O6Ti

C12H20Cl4O6Ti

Conditions
ConditionsYield
In toluene at 25℃; for 10h; Schlenk technique;99%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

N-Methyldiethanolamine
105-59-9

N-Methyldiethanolamine

N-methyldiethanolamine dichloroacetate

N-methyldiethanolamine dichloroacetate

Conditions
ConditionsYield
In methanol at 20℃; for 24h;99%
at 20℃; for 12h; Cooling with ice;98%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

cinnarizine
298-57-7

cinnarizine

cinnarizine dichloroacetate

cinnarizine dichloroacetate

Conditions
ConditionsYield
In methanol at 20℃; for 1h;99%
tetrabutoxytitanium

tetrabutoxytitanium

dichloro-acetic acid
79-43-6

dichloro-acetic acid

3C4H9O(1-)*CHCl2COO(1-)*Ti(4+)=Ti(OC4H9)3(CHCl2COO)

3C4H9O(1-)*CHCl2COO(1-)*Ti(4+)=Ti(OC4H9)3(CHCl2COO)

Conditions
ConditionsYield
In toluene (Ar); Schlenk techniques; toluene soln. of CHCl2COOH added dropwise to toluene soln. of Ti(OBu)4 over 30 min at 25.degrgee.C; stirred for 8 h; vac. evapn.; elem. anal.;98.9%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

titanium tetra(sec-butoxide)
873376-17-1

titanium tetra(sec-butoxide)

C14H28Cl2O5Ti

C14H28Cl2O5Ti

Conditions
ConditionsYield
In toluene at 25℃; for 10h; Schlenk technique;98%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

carbonato(1,2-diaminocyclohexane)platinum
63037-39-8, 76583-21-6

carbonato(1,2-diaminocyclohexane)platinum

C10H16Cl4N2O4Pt

C10H16Cl4N2O4Pt

Conditions
ConditionsYield
In water for 1h;98%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

2-butylamino-ethanol
111-75-1

2-butylamino-ethanol

C6H15NO*C2H2Cl2O2

C6H15NO*C2H2Cl2O2

Conditions
ConditionsYield
In methanol at 20℃; for 24h;98%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

ethanolamine
141-43-5

ethanolamine

Dichloressigsaeure, Aethanolamin

Dichloressigsaeure, Aethanolamin

Conditions
ConditionsYield
In methanol at 20℃; for 24h;98%
4-pyridone
108-96-3

4-pyridone

dichloro-acetic acid
79-43-6

dichloro-acetic acid

1-(Dichloracetyl)-4(1H)-pyridinon
74669-37-7

1-(Dichloracetyl)-4(1H)-pyridinon

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane for 12h; Ambient temperature;97%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

zinc(II) oxide

zinc(II) oxide

zinc dichloro acetate

zinc dichloro acetate

Conditions
ConditionsYield
In H2O Cl2CHCOOH was added to suspn. ZnO in H2O, mixt. was stirred until ZnO dissolved completely; mixt. was filtered, mother liquor was evapd. in vac., dried for 8 h at 2Torr and, 50°C; elem. anal.;97%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

propan-1-ol-3-amine
156-87-6

propan-1-ol-3-amine

C3H9NO*C2H2Cl2O2

C3H9NO*C2H2Cl2O2

Conditions
ConditionsYield
In methanol at 20℃; for 24h;97%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

2-(2-Aminoethoxy)ethanol
929-06-6

2-(2-Aminoethoxy)ethanol

C4H11NO2*C2H2Cl2O2

C4H11NO2*C2H2Cl2O2

Conditions
ConditionsYield
In methanol at 20℃; for 24h;97%
dichloro-acetic acid
79-43-6

dichloro-acetic acid

fasudil
103745-39-7

fasudil

4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium 2,2-dichloroacetate

4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium 2,2-dichloroacetate

Conditions
ConditionsYield
In water at 20℃; for 0.166667h;96.9%
In water at 20℃; for 0.166667h;96.9%
In water at 20℃; for 0.166667h;
dichloro-acetic acid
79-43-6

dichloro-acetic acid

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl dichloroacetate
25006-60-4

isopropyl dichloroacetate

Conditions
ConditionsYield
With sulfuric acid at 100℃; for 26h;96%
With sulfuric acid In dichloromethane at 120℃; Inert atmosphere;86%
With boron trifluoride
With sulfuric acid
propylamine
107-10-8

propylamine

dichloro-acetic acid
79-43-6

dichloro-acetic acid

N-propyldichloroacetamide
60388-94-5

N-propyldichloroacetamide

Conditions
ConditionsYield
tetraphosphorus decasulfide; triphenyl antimony oxide In chloroform at 60℃; for 8h;96%

79-43-6Relevant articles and documents

Photocatalytic degradation of dichloroacetyl chloride adsorbed on TiO 2

Nishikiori, Hiromasa,Tagahara, Makoto,Mukoyama, Leo,Fujii, Tsuneo

, p. 947 - 957 (2010)

Dichloroacetyl chloride (DCAC) attracted our attention as an intermediate product of the photocatalytic degradation of trichloroethylene (TCE). The adsorption and photocatalytic reaction of DCAC on TiO2 have been investigated by FTIR spectroscopy. The influence of the surface structure of several TiO2s on the reaction mechanism was discussed in order to understand the complete degradation mechanism of TCE as well as DCAC. DCAC was transformed into dichloroacetic acid (DCAA) on the relatively hydrophobic TiO2 surface by the small amount of the water molecules weakly adsorbed on the surface. This DCAA was degraded to phosgene, CO2, and CO during UV irradiation. For the hydrophilic TiO2, DCAC was mainly transformed into the dichloroacetate anion. UV irradiation allowed this species to produce chloroform in addition to phosgene, CO2, and CO. It is suggested that DCAC easily reacts with the Ti-OH group on the hydrophilic TiO2 and forms the bidentate titanium chelate of dichloroacetate, which efficiently degrades into chloroform.

Correlation of molecular and morphologic effects of thermoembolization in a swine model using mass spectrometry imaging

Guo, Chunxiao,Baluya, Dodge L.,Thompson, Emily A.,Whitley, Elizabeth M.,Cressman, Erik N.K.

, (2020)

Hepatocellular carcinoma is a growing worldwide problem with a high mortality rate. This malignancy does not respond well to chemotherapy, and most patients present late in their disease at which time surgery is no longer an option. Over the past three decades, minimally invasive methods have evolved to treat unresectable disease and prolong survival. Intra-arterial embolization techniques are used for large or multiple tumors but have distressingly high levels of local recurrence and can be costly to implement. A new method called thermoembolization was recently reported, which destroys target tissue by combining reactive exothermic chemistry with an extreme local change in pH and ischemia. Described herein are experiments performed using this technique in vivo in a swine model. A microcatheter was advanced under fluoroscopic guidance into a branch of the hepatic artery to deliver a targeted dose of dichloroacetyl chloride dissolved in ethiodized oil into the liver. The following day, the animals were imaged by computed tomography and euthanized. Assessing the reaction product distribution and establishing a correlation with the effects are important for understanding the effects. This presented a significant challenge, however, as the reagent used does not contain a chromophore and is not otherwise readily detectable. Mass spectrometry imaging was employed to determine spatial distribution in treated samples. Additional insights on the biology were obtained by correlating the results with histology, immunohistochemistry, and immunofluorescence. The results are encouraging and may lead to a therapy with less local recurrence and improved overall survival for patients with this disease.

TiO2 MEDIATED PHOTOOXIDATION OF TRICHLOROETHYLENE AND TOLUENE DISSOLVED IN FLUOROCARBON SOLVENTS

Sun, Yunfu,Brown, Gilbert M.,Moyer, Bruce A.

, p. 3575 - 3584 (1995)

Titanium dioxide mediated photodegradation of trichloroethylene (TCE) and toluene dissolved in a fluorocarbon solvent (Galden HT110) was demonstrated. The photodegradation of TCE yielded dichloroacetic acid as a major intermediate. The TCE reaction kinetics and high photoefficiency suggest autocatalysis and/or a radical chain reaction mechanism. Photooxidation of toluene is a first-order reaction. Membrane-assisted solvent extraction of TCE from water to the fluorocarbon solvent was demonstrated, and the combination of photooxidation and extraction from the basis for a novel two-stage process for the removal and destruction of organic contaminants from water.

A Straightforward Homologation of Carbon Dioxide with Magnesium Carbenoids en Route to α-Halocarboxylic Acids

Monticelli, Serena,Urban, Ernst,Langer, Thierry,Holzer, Wolfgang,Pace, Vittorio

supporting information, p. 1001 - 1006 (2019/01/30)

The homologation of carbon dioxide with stable, (enantiopure) magnesium carbenoids constitutes a valuable method for preparing α-halo acid derivatives. The tactic features a high level of chemocontrol, thus enabling the synthesis of variously functionalized analogues. The flexibility to generate magnesium carbenoids through sulfoxide-, halogen- or proton- Mg exchange accounts for the wide scope of the reaction. (Figure presented.).

Thermodynamically leveraged tandem catalysis for ester RC(O)O-R′ bond hydrogenolysis. scope and mechanism

Lohr, Tracy L.,Li, Zhi,Assary, Rajeev S.,Curtiss, Larry A.,Marks, Tobin J.

, p. 3675 - 3679 (2015/06/16)

Rapid and selective formal hydrogenolysis of aliphatic ester RC(O)O-R′ linkages is achieved by a tandem homogeneous metal triflate + supported palladium catalytic system. The triflate catalyzes the mildly exothermic, turnover-limiting O-R′ cleavage process, whereas the exothermic hydrogenation of the intermediate alkene further drives the overall reaction to completion.

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