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Trichloroacetic acid

Trichloroacetic acid structure

CAS No:
76-03-9
Formula:
C2HCl3O2
Chemical Name:
Trichloroacetic acid
Synonyms:
Acetic acid,2,2,2-trichloro-;Acetic acid,trichloro-;2,2,2-Trichloroacetic acid;Aceto-Caustin;Amchem Grass Killer;TCA (acid);Trichloracetic acid;Trichloroacetic acid;Trichloroethanoic acid;TKhUK;TKhU;TCA;NSC 215204;NSC 77363;TCAA
Categories:
Active Pharmaceutical Ingredients > Specialty Drugs

Description

Trichloroacetic acid is a colorless crystalline solid which is used in liquid solutions. Trichloroacetic acid, is a colorless crystalline solid. Trichloroacetic acid absorbs moisture from air and forms a syrup. Trichloroacetic acid is soluble in water with release of heat. Trichloroacetic acid is corrosive to metals and tissue.

Trichloroacetic acid Basic Attributes

Molecular Weight：

163.38700

Exact Mass：

163.39

EC Number：

200-927-2

HScode：

29154000

Characteristics

PSA：

37.30000

XLogP3：

1.4412

Appearance：

Transparent to white film

Density：

1.6126 g/cm³ @ Temp: 64 °C

Melting Point：

57.5 °C

Boiling Point：

195.5 °C

Flash Point：

196°C

Refractive Index：

n20/D 1.62(lit.)

Water Solubility：

H2O: 120 g/100 mL (20 ºC);Miscible

Storage Conditions：

Storage Room low temperature ventilation drying ,Separate storage with oxidant and caustic soda

Vapor Pressure：

Vapour pressure, Pa at 51°C: 133

Vapor Density：

<1 (vs air)

Toxicity：

LD50 orally in rats: 5000 mg/kg (Bailey, White)

Flammability characteristics：

Noncombustible Solid

Odor：

Slight characteristic odor

PH：

pH of 0.1 molar aq solution: 1.2

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1839 8/PG 2

wgk germany：

hazard class code：

R35; R50/53

safety instructions：

S26-S36/37-S61-S60-S45-S36/37/39

RTECS Number：

AJ7875000

Marks：

Storage features：

Separated from strong bases. Dry.

Stability/Shelf Life：

Stable, but moisture sensitive. Incompatible with water, strong bases. Note that the Merck Index states that this material is hydrolytically unstable in aqueous solution below 30% by weight. Decomposition products include carbon monoxide and carbon dioxide. The generation of these gases in a sealed container may lead to a pressure rise sufficien

Precautionary statement(s)：

P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338

Hazard Statements：

H314-H410

Trichloroacetic acid Use and Manufacturing

Methods of Manufacturing

1. Chlorination by acetic acid after the mother liquor as raw material chloroacetic acid, sulfur powder as catalyst, in the 90-100 ℃ conditions continue to chlorination, and then crystallization, that is, too. 2. Trichloroacetaldehyde by trichloroacetaldehyde and fuming nitric acid co-oxidation derived. With nitric acid or potassium permanganate oxidation of trichloroacetaldehyde, iodine or phosphorus trichloride in the catalytic and direct chlorination of acetic acid can be obtained trichloroacetic acid. Purification method: fractionated from its melt crystallization, with dry benzene recrystallization purification. Pure product should be placed in a concentrated sulfuric acid vacuum dryer for storage. It can also be recrystallized from chloroform or cyclohexane and dried in a vacuum desiccator containing phosphorus pentoxide or magnesium perchlorate. Trichloroacetic acid can also be refined in the presence of magnesium sulfate under reduced pressure fractionation. Or trichloroacetic acid by adding benzene, the first azeotropic distillation to remove water, and then from the residual benzene solution crystallization purification. 3. Trichloroacetaldehyde and fuming nitric acid mixed eutectic, no oxidation of nitrogen dioxide to produce, in trichloroacetic acid crude: obtained in the 89.3kPa crude distillation, collection of fractions, is finished. 4. Preparation: In a reaction flask equipped with a stirrer, a thermometer, a reflux condenser and a dropping funnel, nitric acid (d1 .5) 330g, slowly heated, stirring dropwise anhydrous trichloroacetaldehyde ① (2) 296g (2mol), keep the reaction temperature at 80 ~ 85 ℃, about 1.5h plus finished. After the addition, the reaction was continued for 3 h. Until there is little escape of nitrogen dioxide. Distillation, until there is no nitrogen dioxide brown. Decompression distillation, in trichloroacetic acid (1) in a yield of 56%.

Uses

1. The product is a medicinal wart remover and astringent. Sodium trichloroacetate is a selective herbicide. It is mainly used as an extractant for biochemical drugs such as adenosine triphosphate, cytochrome c, and placental ester polysaccharides. It is also used as a pesticide. The precipitant of the raw protein and the fixative of the microscope sample. Used as selective herbicide (sodium salt), local corrosive agent, astringent, disinfectant, keratolytic agent, protein precipitant and pharmaceutical raw materials. 2. Used as analytical reagents such as thin layer chromatography for the determination of mint furan and protein precipitant. A chromogenic agent for glucosides. Fixing agent in microscope analysis. 3. Used in organic synthesis and manufacture of pharmaceutical products, chemical reagents, insecticides.

Computed Properties

Molecular Weight:163.38
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:161.904212
Monoisotopic Mass:161.904212
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:83.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrachloroethylene

Ethyl trichloroacetate

Acetic acid

Hydrochloric acid

Nitric acid

Price Analysis

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Data: 2026-05-28
Price: 40000.00Yuan/ton
Change: 0

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