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Substance Name: alpha-Butylene dibromide
RN: 533-98-2
UNII: 8471F50VJI
InChIKey: CZWSZZHGSNZRMW-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-Br2

Molecular Weight

  • 215.915
 
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Names and Synonyms

Name of Substance

  • alpha-Butylene dibromide

Synonyms

  • 1,2-Dibromobutane
  • AI3-14677
  • alpha-Butylene dibromide
  • EINECS 208-581-4
  • NSC 6181
  • UNII-8471F50VJI

Systematic Names

  • 1,2-Dibromobutane
  • Butane, 1,2-dibromo-

Registry Numbers

CAS Registry Number

  • 533-98-2

FDA UNII

  • 8471F50VJI

Other Registry Number

  • 130232-44-9

System Generated Number

  • 0000533982

Structure Descriptors

InChI

1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChIKey

CZWSZZHGSNZRMW-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.54E+01 deg C   EXP
Boiling Point 166.3 deg C   EXP
log P (octanol-water) 2.920 (none)   EST
Water Solubility 116 mg/L 25 EST
Vapor Pressure 3.1 mm Hg 25 EXP
Henry's Law Constant 2.29E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-12 cm3/molecule-sec 25 EST

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