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Substance Name: Isobutyl bromide
RN: 78-77-3
UNII: 5OEC0BW987
InChIKey: HLVFKOKELQSXIQ-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

  • Isobutyl bromide

Synonyms

  • 1-Bromo-2-methylpropane
  • AI3-18130
  • Bromoisobutane
  • CCRIS 349
  • EC 201-141-2
  • EINECS 201-141-2
  • iso-Butyl bromide
  • Isobutyl bromide
  • NSC 8416
  • UNII-5OEC0BW987

Systematic Names

  • 1-Bromo-2-methylpropane
  • Isobutyl bromide
  • Propane, 1-bromo-2-methyl-

Registry Numbers

CAS Registry Number

  • 78-77-3

FDA UNII

  • 5OEC0BW987

System Generated Number

  • 0000078773

Structure Descriptors

InChI

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

InChIKey

HLVFKOKELQSXIQ-UHFFFAOYSA-N

Smiles

C(CBr)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 50500mg/m3 (50500mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 1660mg/kg (1660mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.19E+02 deg C   EXP
Boiling Point 91.1 deg C   EXP
log P (octanol-water) 2.580 (none)   EST
Water Solubility 507 mg/L 18 EXP
Vapor Pressure 72 mm Hg 25 EST
Henry's Law Constant 0.020 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-12 cm3/molecule-sec 25 EST

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