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Substance Name: 3-Bromopropanoic acid
RN: 590-92-1
UNII: WFZ7CSR69R
InChIKey: DHXNZYCXMFBMHE-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C3-H5-Br-O2

Molecular Weight

  • 152.9745
 
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Names and Synonyms

Name of Substance

  • 3-Bromopropanoic acid
  • 3-Bromopropionic acid
  • beta-Bromopropionic acid

Synonyms

  • 2-Carboxyethyl bromide
  • 3-Bromopropanoic acid
  • 3-Bromopropionic acid
  • 4-02-00-00764 (Beilstein Handbook Reference)
  • AI3-18966
  • beta-Bromopropanoic acid
  • beta-Bromopropionic acid
  • BRN 1071333
  • EINECS 209-694-1
  • HSDB 5496
  • NSC 2638
  • Propanoic acid, 3-bromo-
  • Propionic acid, 3-bromo-
  • UNII-WFZ7CSR69R

Systematic Names

  • 3-Bromopropionic acid
  • Propanoic acid, 3-bromo-
  • Propionic acid, 3-bromo-

Registry Numbers

CAS Registry Number

  • 590-92-1

FDA UNII

  • WFZ7CSR69R

System Generated Number

  • 0000590921

Structure Descriptors

InChI

1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey

DHXNZYCXMFBMHE-UHFFFAOYSA-N

Smiles

C(C(=O)O)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 228, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 62.5 deg C   EXP
log P (octanol-water) 0.920 (none)   EST
Atmospheric OH Rate Constant 1.16E-12 cm3/molecule-sec 25 EST

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