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Substance Name: Propanoic acid, 3-iodo-
RN: 141-76-4
InChIKey: KMRNTNDWADEIIX-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C3-H5-I-O2

Molecular Weight

  • 199.971
 
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Names and Synonyms

Synonyms

  • 3-Iodopropanoic acid
  • 3-Iodopropionic acid
  • 4-02-00-00770 (Beilstein Handbook Reference)
  • AI3-21060
  • beta-Iodopropionic acid
  • BRN 1699514
  • EINECS 205-499-0
  • NSC 2124

Systematic Names

  • 3-Iodopropionic acid
  • Propanoic acid, 3-iodo-
  • Propionic acid, 3-iodo-

Registry Numbers

CAS Registry Number

  • 141-76-4

System Generated Number

  • 0000141764

Structure Descriptors

InChI

1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey

KMRNTNDWADEIIX-UHFFFAOYSA-N

Smiles

C(C(O)=O)CI

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 1900mg/kg (1900mg/kg)   Cancer Research. Vol. 28, Pg. 653, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81.5 deg C   EXP
pKa Dissociation Constant 4.09 (none) 18 EXP
log P (octanol-water) 1.340 (none)   EST
Water Solubility 7.43E+04 mg/L 25 EXP
Vapor Pressure 0.033 mm Hg 25 EST
Henry's Law Constant 5.43E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-12 cm3/molecule-sec 25 EST

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