CAS No.535-15-9,ETHYL DICHLOROACETATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	535-15-9
Name:	ETHYL DICHLOROACETATE
Article Data:	57

Formula:	C₄H₆Cl₂O₂
Molecular Weight:	156.996
Synonyms:	Aceticacid, dichloro-, ethyl ester (6CI,7CI,8CI,9CI);Dichloroacetic acid ethylester;Ethyl 2,2-dichloroacetate;Ethyl dichloroacetate;NSC 27788;NSC 6748;Acetic acid, dichloro-, ethyl ester;AC1L1VZN;35820_ALDRICH;
EINECS:	208-611-6
Density:	1.295 g/cm³
Boiling Point:	151.1 °C at 760 mmHg
Flash Point:	55.6 °C
Solubility:	with ethanol, ethyl ether immiscible, insoluble in water
Appearance:	colorless liquid
Hazard Symbols:	Xn
Risk Codes:	20/21-36/37
Safety:	23-26-36
Transport Information:	UN 2810
PSA:	26.30000
LogP:	1.35320

Synthetic route

: 16967-79-6
trichloroethylene epoxide

: 64-17-5
ethanol

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

Conditions

Conditions	Yield
at 0℃;	96%

: 54567-92-9
1,1,1-triethoxy-2,2-dichloroethane

A: 64-17-5
ethanol

B: 141-78-6
ethyl acetate

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

Conditions

Conditions	Yield
With acetic acid Heating;	A n/a B n/a C 95%

...Expand

: 64-17-5
ethanol

: 1768-31-6
pentachloroacetone

A: 67-66-3
chloroform

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

Conditions

Conditions	Yield
With pyridine for 2h; Heating;	A 9.2 g B 82.2%

...Expand

: 515-84-4
Ethyl trichloroacetate

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

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In N,N-dimethyl acetamide at 25℃; under 760.051 Torr; for 1h; chemoselective reaction;	79%
With 10% Pt/activated carbon; hydrogen In N,N-dimethyl acetamide at 25℃; under 760.051 Torr; for 1h; chemoselective reaction;	79%
With N-ethyl-N,N-diisopropylamine In acetonitrile at 28℃; for 72h; Irradiation; Inert atmosphere;	70%

: 64-17-5
ethanol

: 87651-34-1
pentachloro-2-(trimethylsiloxy)propene

A: 67-66-3
chloroform

B: 1825-62-3
ethyl trimethylsilyl ether

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

Conditions

Conditions	Yield
With triethylamine for 8h; Heating; Yields of byproduct given;	A n/a B n/a C 71%
With triethylamine for 8h; Heating; Yield given;	A n/a B n/a C 71%

...Expand

: 86164-39-8
2,2-dichloro-3-oxo-propionic acid ethyl ester

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

B: 103-70-8
Formanilid

Conditions

Conditions	Yield
With aniline In tetrachloromethane for 12h; Ambient temperature;	A 50% B 66%

: 86164-39-8
2,2-dichloro-3-oxo-propionic acid ethyl ester

: 62-53-3
aniline

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

B: 103-70-8
Formanilid

Conditions

Conditions	Yield
In tetrachloromethane for 12h; Ambient temperature;	A 50% B 66%

...Expand

: 64-17-5
ethanol

: 79-01-6
Trichloroethylene

: 141-78-6
ethyl acetate

A: 354-14-3
freon-121

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

Conditions

Conditions	Yield
With chlorine monofluoride 1.) Freon 113; 2.) 20 - 25 deg C, 30 min.; Yield given. Multistep reaction;	A 65% B n/a

...Expand

: 79-43-6
dichloro-acetic acid

: 1569262-64-1
ethyl N-tert-butyl-4-nitrobenzenesulfonimidate

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

Conditions

Conditions	Yield
In dichloromethane Heating;	58%

: 79-43-6
dichloro-acetic acid

: 64-17-5
ethanol

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

Conditions

Conditions	Yield
With phosphorus pentoxide; copper(II) sulfate; sodium sulfate for 2h; Heating;	40%
With hydrogenchloride
With sulfuric acid unter wiederholtem Abdestillieren des entstandenen Wassers mit Benzol;

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Specification

The Acetic acid,2,2-dichloro-, ethyl ester with CAS registry number of 535-15-9 is also known as Acetic acid, dichloro-, ethyl ester. The IUPAC name is Ethyl 2,2-dichloroacetate. It belongs to product categories of C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 208-611-6. In addition, the formula is C₄H₆Cl₂O₂ and the molecular weight is 157. What's more, This chemical can be used as solvent and medicine synthesis intermediates.

Physical properties about Acetic acid,2,2-dichloro-, ethyl ester are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.45; (6)ACD/BCF (pH 7.4): 8.45; (7)ACD/KOC (pH 5.5): 160.34; (8)ACD/KOC (pH 7.4): 160.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 32.01 cm³; (15)Molar Volume: 121.1 cm³; (16)Polarizability: 12.69×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 55.6 °C; (20)Enthalpy of Vaporization: 38.8 kJ/mol; (21)Boiling Point: 151.1 °C at 760 mmHg; (22)Vapour Pressure: 3.72 mmHg at 25 °C.

Preparation of Acetic acid,2,2-dichloro-, ethyl ester: it is prepared by reaction of dichloroacetic acid with ethanol. The reaction needs reagents P₂O₅, CuSO₄, Na₂SO₄ and other condition of heating for 2 hours. The yield is about 40%.

Acetic acid,2,2-dichloro-, ethyl ester is prepared by reaction of dichloroacetic acid with ethanol.

Uses of Acetic acid,2,2-dichloro-, ethyl ester: it is used to produce a-Chlor-cyclohexyl-essigsaeureaethylester by reaction with Cyclohexene. The reaction occurs with reagents Na₂S₂O₄, NaHCO₃ and solvent dimethylsulfoxide at 75 °C for 7 hours. The yield is about 65%.

Acetic acid,2,2-dichloro-, ethyl ester is used to produce a-Chlor-cyclohexyl-essigsaeureaethylester by reaction with Cyclohexene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and respiratory system. This chemical is Harmful by inhalation and in contact with skin. During using it, wear suitable protective clothing and do not breathe gas/fumes/vapour/spray. In case of contact with eyes, rinse immediately with plenty of water and seek medicl advice.

You can still convert the following datas into molecular structure:
1. SMILES: ClC(Cl)C(=O)OCC
2. InChI: InChI=1/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
3. InChIKey: IWYBVQLPTCMVFO-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
5. Std. InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N