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Substance Name: sec-Butyl bromide
RN: 78-76-2
UNII: SSI829JO4W
InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H9-Br

Molecular Weight

  • 137.019
 
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Names and Synonyms

Name of Substance

  • 2-Bromobutane
  • sec-Butyl bromide

Synonyms

  • 0-01-00-00119 (Beilstein Handbook Reference)
  • 2-Bromobutane
  • 2-Butyl bromide
  • AI3-25262
  • BRN 0505949
  • Butane, 2-bromo-
  • CCRIS 106
  • EINECS 201-140-7
  • HSDB 2197
  • Methylethylbromomethane
  • NSC 8417
  • sec-Butyl bromide
  • Secondary butyl bromide
  • UNII-SSI829JO4W

Systematic Names

  • 2-Bromobutane
  • Butane, 2-bromo-
  • sec-Butyl bromide

Superlist Names

  • 2-Bromobutane [UN2339] [Flammable liquid]
  • UN2339

Registry Numbers

CAS Registry Number

  • 78-76-2

FDA UNII

  • SSI829JO4W

Other Registry Number

  • 5787-31-5

System Generated Number

  • 0000078762

Structure Descriptors

InChI

1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3

InChIKey

UPSXAPQYNGXVBF-UHFFFAOYSA-N

Smiles

C([C@@H](C)Br)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.12E+02 deg C   EXP
Boiling Point 91.2 deg C   EXP
log P (octanol-water) 2.580 (none)   EST
Water Solubility 845 mg/L 25 EST
Vapor Pressure 57 mm Hg 25 EXP
Henry's Law Constant 0.016 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-12 cm3/molecule-sec 25 EST

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