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Ethyl trichloroacetate

Ethyl trichloroacetate structure

CAS No:
515-84-4
Formula:
C4H5Cl3O2
Chemical Name:
Ethyl trichloroacetate
Synonyms:
Acetic acid,2,2,2-trichloro-,ethyl ester;Acetic acid,trichloro-,ethyl ester;Ethyl trichloroacetate;NSC 8829
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

Ethyl trichloroacetate Basic Attributes

Molecular Weight：

191.44

Exact Mass：

191.44

EC Number：

208-212-7

UNII：

BR8FKN5Z55

NSC Number：

8829

DSSTox ID：

DTXSID9060158

HScode：

2915400090

Characteristics

PSA：

26.3

XLogP3：

2.64

Appearance：

Colorless liquid

Density：

1.3886 g/cm³ @ Temp: 20 °C

Melting Point：

237 °C

Boiling Point：

167.5 °C

Flash Point：

149 °F

Refractive Index：

1.470

Water Solubility：

H2O: immiscible;alcohol: miscible(lit.)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

3.81 mmHg

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-37/39-24/25

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

Drug Information

MeSH Entry Terms：

ethyl trichloroacetate

Ethyl trichloroacetate Use and Manufacturing

Methods of Manufacturing

Derived from the esterification of trichloroacetic acid with ethanol. Heat trichloroacetic acid, absolute ethanol and sulfuric acid together to reflux for 6h. After cooling, it is poured into water to separate the ester layer, neutralized with 5-10% sodium carbonate solution, washed with water, and dried overnight with anhydrous calcium chloride. After filtration, distillation is performed to obtain the finished product. The yield is 75%.

Uses

Used in organic synthesis, as a raw material for medium-boiling solvents and spices, and as a raw material for medicine

Manufacturing Info：

Acetic acid, 2,2,2-trichloro-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:191.44
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:189.935512
Monoisotopic Mass:189.935512
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

Make your Ethyl trichloroacetate purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on Ethyl trichloroacetate prices .

Data: 2026-01-02
Price: 49500.00Yuan/ton
Change: 0

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