Chloroacetic acid

Base Information Edit

Chemical Name:Chloroacetic acid
CAS No.:79-11-8
Molecular Formula:C2H3ClO2
Molecular Weight:94.4976
Hs Code.:29154000
European Community (EC) Number:201-178-4
ICSC Number:0235
NSC Number:42970,142
UN Number:1751,1750
UNII:5GD84Y125G
DSSTox Substance ID:DTXSID4020901
Nikkaji Number:J2.409K
Wikipedia:Chloroacetic acid
Wikidata:Q409013
RXCUI:2374
Metabolomics Workbench ID:1754
ChEMBL ID:CHEMBL14090
Mol file:79-11-8.mol

Synonyms:Acetocaustin;chloroacetate;chloroacetic acid;chloroacetic acid, aluminum salt;chloroacetic acid, ammonium (2:1) salt;chloroacetic acid, ammonium salt;chloroacetic acid, calcium (3:1) salt;chloroacetic acid, calcium salt;chloroacetic acid, potassium (2:1) salt;chloroacetic acid, potassium salt;chloroacetic acid, silver salt;chloroacetic acid, sodium (2:1) salt;chloroacetic acid, sodium (5:2) salt;chloroacetic acid, sodium salt;monochloroacetic acid;SODIUM CHLOROACETATE

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Chloroacetic acid Edit

Chemical Property:

Appearance/Colour:colourless or white crystals
Vapor Pressure:0.75 mm Hg ( 20 °C)
Melting Point:61 °C
Refractive Index:1.4330
Boiling Point:188.999 °C at 760 mmHg
PKA:2.85(at 25℃)
Flash Point:71.538 °C
PSA：37.30000
Density:1.399 g/cm³
LogP:0.30980
Storage Temp.:0-6°C
Sensitive.:Hygroscopic
Solubility.:Soluble in methanol, acetone, diethyl ether, benzene, chloroform
Water Solubility.:SOLUBLE
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:93.9821570
Heavy Atom Count:5
Complexity:42.9
Transport DOT Label:Poison Corrosive

Purity/Quality:

Safty Information:

Pictogram(s): T,N,Xi,F
Hazard Codes:T,N,Xi,F
Statements: 25-34-50-40-36/37/38-23/24/25-38
Safety Statements: 23-37-45-61-36-26-16-63-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C(C(=O)O)Cl
Recent EU Clinical Trials:Monochloroacetic acid versus cryotherapy in the treatment of warts: A Randomised Clinical Trial (WARTS-2)
Inhalation Risk:A harmful contamination of the air will be reached slowly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is corrosive to the eyes, skin and respiratory tract. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest. The substance may cause effects on the metabolism. This may result in metabolic acidosis and multiple organ failure. Exposure could cause death. The effects may be delayed. Medical observation is indicated.
Effects of Long Term Exposure:Repeated or prolonged inhalation may cause effects on the lungs.
Description Chloroacetic acid (CAA) is a monohalogenated acetic acid (m-HAA) that is used as a photosensitizing agent and in industrial synthesis of certain organic chemicals such as indigoid dyes. The m-HAAs are a major class of drinking water disinfection by-products during chlorination of drinking water.
Uses Herbicide, preservative, bacteriostat, intermediate in production of carboxymethylcellulose; ethyl chloroacetate, glycine, synthetic caffeine, sarcosine, thioglycolic acid, EDTA, 2,4-D, 2,4,5-T. Chloroacetic acid behaves as a very strong monobasic acid and is used as a strong acid catalyst for diverse reactions. The Cl function can be displaced in base-catalyzed reactions. CAA is one of these agents used in the topical treatment of warts in most European countries and also as an herbicidal agent and a bleaching agent for silkworm cocoons. It can be found in wines and beers using static headspace extraction coupled with gas chromatography–mass spectrometry. CCA is the main toxic metabolite of vinyl chloride. CAA and volatile organochlorines are suspected to contribute to forest dieback and stratospheric ozone destruction.

Technology Process of Chloroacetic acid

There total 229 articles about Chloroacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 37.0%

: 56-23-5
tetrachloromethane

: 64-19-7,77671-22-8
acetic acid

: 67-66-3,8013-54-5
chloroform

: 110-15-6
succinic acid

: 79-11-8
chloroacetic acid

Guidance literature:: acetic acid; With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 40 ℃; Inert atmosphere;

tetrachloromethane; In tetrahydrofuran; at 20 - 25 ℃; for 2h; Inert atmosphere;
DOI:10.1134/S1070428019010068