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Cas Database

Name	Dichloroacetic acid	EINECS	201-207-0
CAS No.	79-43-6	Density	1.626 g/cm³
PSA	37.30000	LogP	0.87470
Solubility	soluble in water	Melting Point	9-11 °C(lit.)
Formula	C₂H₂Cl₂O₂	Boiling Point	193.999 °C at 760 mmHg
Molecular Weight	128.943	Flash Point	75.552 °C
Transport Information	UN 1764 8/PG 2	Appearance	clear colorless to light yellow liquid
Safety	26-45-61-36/37-36-16	Risk Codes	36/38-40-50-35-36/37/38
Molecular Structure		Hazard Symbols	C,N
Synonyms	Aceticacid, dichloro- (5CI,8CI,9CI);DCA (acid);DKhUK;Dichloroethanoic acid;2,2-Dichloroacetic acid;	Article Data	133

Dichloroacetic acid Synthetic route

: 535-15-9
ethyl 1,1-dichloroacetate

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
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.

: 75-09-2
dichloromethane

: 124-38-9
carbon dioxide

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
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%

: 108-24-7
acetic anhydride

: 64-19-7
acetic acid

A: 79-43-6
dichloro-acetic acid

B: 79-11-8
chloroacetic acid

Conditions

Conditions	Yield
With iron(III) chloride; chlorine at 95℃; Reagent/catalyst; Concentration; Time; Microwave irradiation;	A 1.86% B 98.11%

: 79-00-5
1,1,2-trichloroethane

A: 79-43-6
dichloro-acetic acid

B: 79-02-7
2,2-dichloroacetaldehyde

C: 79-11-8
chloroacetic acid

Conditions

Conditions	Yield
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%

: 79-01-6
Trichloroethylene

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
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;

: 127-18-4
1,1,2,2-tetrachloroethylene

2: 2

A: 79-43-6
dichloro-acetic acid

B: 76-03-9
trichloroacetic acid

Conditions

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

: 109-97-7
pyrrole

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
With sodium hypochlorite

: 79-36-7
dichloroacethyl chloride

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
With water Hydrolysis;
With acetic acid unter Abdestillieren des entstehenden Acetylchlorids, zuletzt unter Einleiten von HCl;
With water In acetone at -50 - -20℃; Kinetics;

: 108-73-6
3,5-dihydroxyphenol

A: 79-43-6
dichloro-acetic acid

B: 632-21-3
1,1,3,3-tetrachloropropanone

Conditions

Conditions	Yield
With chlorine

: 127-18-4
1,1,2,2-tetrachloroethylene

: 141-52-6
sodium ethanolate

: 79-43-6
dichloro-acetic acid

Conditions

Conditions	Yield
at 120℃; Bildung von Dichloressigester;

Dichloroacetic acid Chemical Properties

Molecular Structure of Dichloroacetic acid (CAS NO.79-43-6):

IUPAC Name: Dichloroacetic acid
Empirical Formula: C₂H₂Cl₂O₂
Molecular Weight: 128.9421
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3Å²
Index of Refraction: 1.48
Molar Refractivity: 22.536 cm³
Molar Volume: 79.321 cm³
Surface Tension: 47.089 dyne/cm
Density: 1.626 g/cm³
Flash Point: 75.552 °C
Enthalpy of Vaporization: 47.42 kJ/mol
Boiling Point: 193.999 °C at 760 mmHg
Vapour Pressure: 0.196 mmHg at 25°C
Melting point: 9-11 °C(lit.)
Storage temp: 0-6°C
Water Solubility: soluble
Sensitive: Hygroscopic
Merck: 14,3050
BRN: 1098596
Stability: Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic
Product Categories: Pharmaceutical Intermediates; Alpha Sort; D; DAlphabetic; DIA - DIC;Volatiles/ Semivolatiles; Chemical Synthesis; Organic Acids; Synthetic Reagents; 500 Series Drinking Water Methods; EPA; Method552; Pesticides&Metabolites; Essential Chemicals; Reagent Plus; Routine Reagents

Dichloroacetic acid Toxicity Data With Reference

1.	skn-rbt 10 mg/24H open MOD	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.	skn-rbt 2 mg/24H SEV	85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,570.
3.	eye-rbt 50 µg open SEV	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.	orl-mus TDLo:427 g/kg/61W-C:CAR	TXAPA9 Toxicology and Applied Pharmacology. 90 (1987),183.
5.	orl-rat LD50:2820 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
6.	skn-rbt LD50:510 mg/kg	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

Dichloroacetic acid Consensus Reports

Reported in EPA TSCA Inventory.

Dichloroacetic acid Safety Profile

Moderately toxic by skin contact and ingestion. It is corrosive to the skin, eyes, and mucous membranes. Questionable carcinogen with experimental tumorigenic data. Will react with water or steam to produce toxic and corrosive fumes. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORIDES.
Safety information of Dichloroacetic acid (CAS NO.79-43-6):
Hazard Codes: Xi,N,C,F
Risk Statements:40-50-35-36/37/38
R40:Limited evidence of a carcinogenic effect
R50:Very Toxic to aquatic organisms
R35:Causes severe burns
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-45-61-36/37-16
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
S61:Avoid release to the environment. Refer to special instructions safety data sheet
S36/37:Wear suitable protective clothing and gloves
S16:Keep away from sources of ignition - No smoking
RIDADR: UN 1764 8/PG 2
WGK Germany: 2
RTECS: AG6125000
F: 3-10
HazardClass: 8
PackingGroup: II

Dichloroacetic acid Standards and Recommendations

DOT Classification: 8; Label: Corrosive

Dichloroacetic acid Specification

Dichloroacetic acid , with CAS number of 79-43-6, can be called Dichloroacetic aciol ; Dichloroethanoic acid ; Dichloroacetic acid ; Dichlorethanoic acid ; Dichloracetic acid ; Aceticacid, dichloro- (5CI,8CI,9CI) . It is stable but incompatible with strong oxidizing agents, strong bases, strong reducing agents. Dichloroacetic acid (CAS NO.79-43-6) is used as a pesticide, pharmaceutical intermediates, organic synthesis.

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