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Dichloroacetic acid

Dichloroacetic acid structure

CAS No:
79-43-6
Formula:
C2H2Cl2O2
Chemical Name:
Dichloroacetic acid
Synonyms:
Acetic acid,2,2-dichloro-;Acetic acid,dichloro-;2,2-Dichloroacetic acid;Dichloracetic acid;Dichlorethanoic acid;Dichloroacetic acid;DKhUK;DCA;Dichloroethanoic acid;DCA (acid);NSC 2654;DCAA;42428-47-7
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

Dichloroacetic acid, CHCI2COOH, also known as dichlorethanoic acid, is a colorless,strong liquid acid. It is soluble in water and alcohol. Dichloroacetic acid is prepared by the chlorination of acetic acid.It is used in organic synthesis. DCA is a corrosive, combustible, colorless liquid with a pungent odor.

Dichloroacetic acid Basic Attributes

Molecular Weight：

128.94

Exact Mass：

128.94

BRN：

1098596

EC Number：

201-207-0

HScode：

29154000

Characteristics

PSA：

37.3

XLogP3：

0.9

Appearance：

APHA: <50 Liquid

Density：

1.563 g/cm³ @ Temp: 20 °C

Melting Point：

13.5 °C

Boiling Point：

193-194 °C

Flash Point：

>230 °F

Water Solubility：

H2O: soluble

Storage Conditions：

0-6°C

Vapor Pressure：

0.19 mm Hg ( 20 °C)

Vapor Density：

4.5 (vs air)

Toxicity：

Oral-Rat LD50: 2820 mg/kg

Flammability characteristics：

Decompose toxic chloride gas when exposed to heat; emit toxic chloride gas when exposed to water; produce toxic chloride fumes when heated

Odor：

Pungent odor

PKA：

1.26None

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1764 8/PG 2

wgk germany：

hazard class code：

36/38-40-50-35-36/37/38-67-38-65-48/20-11-63-50/53

safety instructions：

26-45-61-36/37-36-16-62-36/37/39

RTECS Number：

AG6125000

Marks：

Xn,N,C,Xi,F

Storage features：

The warehouse is ventilated, low-temperature and dry; stored separately from oxidants and alkalis.

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic.

Precautionary statement(s)：

P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P391, P405, P501

Hazard Statements：

H314

Toxicity

Toxicity class：

moderately toxic

Dichloroacetic acid Use and Manufacturing

Methods of Manufacturing

1. Acetic acid chlorination mother liquor recovery method The chloroacetic acid mother liquor is obtained from the chlorination of acetic acid. The chloroacetic acid mother liquor undergoes chlorination reaction under sulfur catalysis and is obtained by distillation. 2. Trichloroacetaldehyde method Trichloroacetaldehyde is obtained by cyanidation, dehydrochlorination and hydrolysis. 3. Acetic acid method is obtained by chlorination of acetic acid under iodine catalysis.

Uses

Used in organic synthesis and pharmaceutical industry, dye intermediates, etc.

Computed Properties

Molecular Weight:128.94
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.9431847
Monoisotopic Mass:127.9431847
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:60.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetic acid

Trichloroacetic acid

Acrylic acid

Downstream Products

Chloroacetic acid

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