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Substance Name: t-Butyl bromide
RN: 507-19-7
UNII: 5LWO08435U
InChIKey: RKSOPLXZQNSWAS-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

  • t-Butyl bromide
  • tert-Butyl bromide

Synonyms

  • 1,1-Dimethylethyl chloride
  • 2-Bromo-2-methylpropane
  • 2-Bromoisobutane
  • Bromotrimethylmethane
  • CCRIS 107
  • EINECS 208-065-9
  • HSDB 2196
  • NSC 8418
  • Propane, 2-bromo-2-methyl-
  • t-Butyl bromide
  • tert-Butyl bromide
  • Tertiarybutyl bromide
  • Trimethylbromomethane
  • UNII-5LWO08435U

Systematic Names

  • 2-Bromo-2-methylpropane
  • Propane, 2-bromo-2-methyl-
  • tert-Butyl bromide

Registry Numbers

CAS Registry Number

  • 507-19-7

FDA UNII

  • 5LWO08435U

System Generated Number

  • 0000507197

Structure Descriptors

InChI

1S/C4H9Br/c1-4(2,3)5/h1-3H3

InChIKey

RKSOPLXZQNSWAS-UHFFFAOYSA-N

Smiles

C(C)(C)(C)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4400mg/kg (4400mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.
rat LD50 intraperitoneal 1250mg/kg (1250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 29, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.62E+01 deg C   EXP
Boiling Point 73.3 deg C   EXP
log P (octanol-water) 2.540 (none)   EST
Water Solubility 600 mg/L 25 EXP
Vapor Pressure 135 mm Hg 25 EXP
Henry's Law Constant 0.041 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-13 cm3/molecule-sec 25 EST

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