Skip Navigation
ChemIDplus LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

InChIKey

HLVFKOKELQSXIQ-UHFFFAOYSA-N

Smiles

CC(C)CBr

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.