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Substance Name: Chloroacetic acid [BSI:ISO]
RN: 79-11-8
UNII: 5GD84Y125G
InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N

Note

  • Urinary metabolite of vinyl chloride.

Molecular Formula

  • C2-H3-Cl-O2

Molecular Weight

  • 94.4967
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 100/10000 lb

Names and Synonyms

Results Name

  • Chloroacetic acid [BSI:ISO]

Name of Substance

  • Chloroacetic acid
  • Chloroacetic acid [BSI:ISO]
  • Monochloroacetic acid [BSI:ISO]

Synonyms

  • 4-02-00-00474 (Beilstein Handbook Reference)
  • Acetic acid, chloro-
  • Acide chloracetique
  • Acide chloracetique [French]
  • Acide chloracetique [ISO-French]
  • Acide chloroacetique
  • Acide chloroacetique [French]
  • Acide monochloracetique
  • Acide monochloracetique [French]
  • Acidomonocloroacetico
  • Acidomonocloroacetico [Italian]
  • AI3-25035
  • BRN 0605438
  • Caswell No. 179B
  • CCRIS 2117
  • Chloracetic acid
  • Chloroacetic acid
  • Chloroethanoic acid
  • EC 201-178-4
  • EINECS 201-178-4
  • EPA Pesticide Chemical Code 279400
  • HSDB 939
  • Kyselina chloroctova
  • Kyselina chloroctova [Czech]
  • MCA
  • Monochloorazijnzuur
  • Monochloorazijnzuur [Dutch]
  • Monochloracetic acid
  • Monochloressigsaeure
  • Monochloressigsaeure [German]
  • Monochloroacetic acid
  • Monochloroethanoic acid
  • NCI-C60231
  • NSC 142
  • UNII-5GD84Y125G

Systematic Names

  • Acetic acid, 2-chloro-
  • Acetic acid, chloro-
  • Chloroacetic acid

Superlist Names

  • Acetic acid, chloro-
  • Chloroacetic acid
  • Chloroacetic acid (80% or less)
  • Chloroacetic acid solution
  • Chloroacetic acid, molten
  • Chloroacetic acid, molten [UN3250] [Poison]
  • Chloroacetic acid, solid
  • Chloroacetic acid, solid [UN1751] [Poison]
  • Chloroacetic acid, solution
  • Chloroacetic acid, solution [UN1750] [Poison]
  • Monochloroacetic acid
  • UN1750
  • UN1751
  • UN3250

Registry Numbers

CAS Registry Number

  • 79-11-8

FDA UNII

  • 5GD84Y125G

Related Registry Number

  • 3926-62-3 (hydrochloride salt)

System Generated Number

  • 0000079118

Structure Descriptors

InChI

1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

FOCAUTSVDIKZOP-UHFFFAOYSA-N

Smiles

C(CCl)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.
rat LC50 inhalation 180mg/m3 (180mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(9), Pg. 32, 1974.
rat LD50 intraperitoneal 16600ug/kg (16.6mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.
rat LD50 oral 55mg/kg (55mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(9), Pg. 32, 1974.
rat LD50 subcutaneous 5mg/kg (5mg/kg)   Toxicology and Applied Pharmacology. Vol. 22, Pg. 303, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 63 deg C   EXP
Boiling Point 189.3 deg C   EXP
pKa Dissociation Constant 2.866 (none) 25 EXP
log P (octanol-water) 0.22 (none)   EXP
Water Solubility 8.58E+05 mg/L 25 EXP
Vapor Pressure 0.065 mm Hg 25 EXP
Henry's Law Constant 9.42E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.86E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.