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Substance Name: Bromoacetic acid
RN: 79-08-3
UNII: 2B3HS32431
InChIKey: KDPAWGWELVVRCH-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C2-H3-Br-O2

Molecular Weight

  • 138.948
 
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Names and Synonyms

Results Name

  • Bromoacetic acid

Name of Substance

  • Bromoacetate

Synonyms

  • 2-Bromoacetic acid
  • 4-02-00-00526 (Beilstein Handbook Reference)
  • Acetic acid, bromo-, (solution)
  • Acide bromacetique
  • Acide bromacetique [French]
  • AI3-15301
  • BRN 0506167
  • Bromoacetate ion
  • Bromoacetic acid
  • Bromoethanoic acid
  • Caswell No. 112A
  • CCRIS 7886
  • EC 201-175-8
  • EINECS 201-175-8
  • EPA Pesticide Chemical Code 008702
  • HSDB 7627
  • Kyselina bromoctova
  • Kyselina bromoctova [Czech]
  • Monobromessigsaeure
  • Monobromessigsaeure [German]
  • Monobromoacetic acid
  • NSC 141
  • To NTU
  • UNII-2B3HS32431

Systematic Names

  • Acetic acid, 2-bromo-
  • Acetic acid, bromo-
  • Bromoacetic acid
  • Monobromoacetic acid

Superlist Names

  • Bromoacetic acid
  • Bromoacetic acid, solid
  • Bromoacetic acid, solid [UN1938] [Corrosive]
  • Bromoacetic acid, solution
  • Bromoacetic acid, solution [UN1938] [Corrosive]
  • UN1938

Registry Numbers

CAS Registry Number

  • 79-08-3

FDA UNII

  • 2B3HS32431

Other Registry Numbers

  • 418768-49-7
  • 418768-50-0

System Generated Number

  • 0000079083

Structure Descriptors

InChI

InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

KDPAWGWELVVRCH-UHFFFAOYSA-N

Smiles

OC(=O)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intravenous > 24mg/kg (24mg/kg) BEHAVIORAL: ATAXIA

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955.
dog LD oral > 48mg/kg (48mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA
Acta Pharmacologica et Toxicologica. Vol. 11, Pg. 33, 1955.
guinea pig LDLo skin 500mg/kg (500mg/kg)   National Technical Information Service. Vol. OTS0555280,
mouse LD50 intraperitoneal 66mg/kg (66mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of the National Cancer Institute. Vol. 31, Pg. 297, 1963.
mouse LD50 oral 100mg/kg (100mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0391-1149,
rabbit LD50 skin 59900ug/kg (59.9mg/kg)   National Technical Information Service. Vol. OTS0555280,
rabbit LDLo intravenous 45mg/kg (45mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: REGIDITY

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 160, Pg. 551, 1931.
rat LCLo inhalation 114gm/m3/30M (114000mg/m3)   Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 113, 1978.
rat LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555280,
rat LD50 skin 100mg/kg (100mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0191-1149S,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50 deg C   EXP
Boiling Point 208 deg C   EXP
pKa Dissociation Constant 2.89 (none) 20 EXP
log P (octanol-water) 0.41 (none)   EXP
Water Solubility 9.38E+04 mg/L 25 EST
Vapor Pressure 0.119 mm Hg 25 EXP
Henry's Law Constant 6.31E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.16E-13 cm3/molecule-sec 25 EST

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