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Substance Name: 3-Bromo-1-propanol
RN: 627-18-9
UNII: 3T4AXH68FH
InChIKey: RQFUZUMFPRMVDX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H7-Br-O

Molecular Weight

  • 138.991
 
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Names and Synonyms

Name of Substance

  • 3-Bromo-1-propanol

Synonyms

  • 3-Bromo-1-propanol
  • 3-Bromopropanol
  • 3-Hydroxypropyl bromide
  • 4-01-00-01446 (Beilstein Handbook Reference)
  • AI3-52315
  • BRN 0969160
  • CCRIS 5979
  • EINECS 210-986-6
  • UNII-3T4AXH68FH

Systematic Names

  • 1-Propanol, 3-bromo-
  • 3-Bromopropan-1-ol

Registry Numbers

CAS Registry Number

  • 627-18-9

FDA UNII

  • 3T4AXH68FH

System Generated Number

  • 0000627189

Structure Descriptors

InChI

1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

InChIKey

RQFUZUMFPRMVDX-UHFFFAOYSA-N

Smiles

C(CO)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.690 (none)   EST
Water Solubility 1.42E+05 mg/L 20 EXP
Vapor Pressure 0.1 mm Hg 20 EXP
Henry's Law Constant 1.29E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.01E-12 cm3/molecule-sec 25 EST

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