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Substance Name: Bromochloroacetic acid
RN: 5589-96-8
UNII: AL8MZ37Y51
InChIKey: GEHJBWKLJVFKPS-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C2-H2-Br-Cl-O2

Molecular Weight

  • 173.3928
 
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Names and Synonyms

Name of Substance

  • Bromochloroacetic acid

Synonyms

  • Bromochloroacetic acid
  • CCRIS 8228
  • Chlorobromoacetic acid
  • HSDB 7619
  • UNII-AL8MZ37Y51

Systematic Name

  • Acetic acid, bromochloro-

Registry Numbers

CAS Registry Number

  • 5589-96-8

FDA UNII

  • AL8MZ37Y51

System Generated Number

  • 0005589968

Structure Descriptors

InChI

InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

GEHJBWKLJVFKPS-UHFFFAOYSA-N

Smiles

OC(=O)C(Cl)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.5 deg C   EXP
Boiling Point 215 deg C   EXP
log P (octanol-water) 0.610 (none)   EST
Atmospheric OH Rate Constant 6.75E-13 cm3/molecule-sec 25 EST

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