Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Chloropropionic acid
RN: 107-94-8
UNII: R5J180FN9Z
InChIKey: QEYMMOKECZBKAC-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C3-H5-Cl-O2

Molecular Weight

  • 108.5235
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Chloropropionic acid
  • beta-Chloropropionic acid

Synonyms

  • 3-Chloropropanic acid
  • 3-Chloropropanoic acid
  • 3-Chloropropionic acid
  • 4-02-00-00748 (Beilstein Handbook Reference)
  • AI3-22338
  • beta-Chloropropionic acid
  • beta-Monochloropropionic acid
  • BRN 1098495
  • CCRIS 9440
  • EC 203-534-4
  • EINECS 203-534-4
  • HSDB 2053
  • NSC 174
  • Propanoic acid, 3-chloro-
  • Propionic acid, 3-chloro-
  • UNII-R5J180FN9Z

Systematic Names

  • 3-Chloropropionic acid
  • Propanoic acid, 3-chloro-
  • Propionic acid, 3-chloro-

Superlist Name

  • 3-Chloropropionic acid

Registry Numbers

CAS Registry Number

  • 107-94-8

FDA UNII

  • R5J180FN9Z

System Generated Number

  • 0000107948

Structure Descriptors

InChI

1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey

QEYMMOKECZBKAC-UHFFFAOYSA-N

Smiles

C(C(=O)O)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 1040mg/kg (1040mg/kg)   Cancer Research. Vol. 28, Pg. 653, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41 deg C   EXP
Boiling Point 156 deg C   EXP
pKa Dissociation Constant 3.99 (none) 25 EXP
log P (octanol-water) 0.41 (none)   EXP
Water Solubility 1.22E+05 mg/L 25 EST
Vapor Pressure 0.336 mm Hg 25 EST
Henry's Law Constant 2.56E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-12 cm3/molecule-sec 25 EST

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