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Substance Name: n-Butyl bromide
RN: 109-65-9
UNII: SAV6Y78U3D
InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H9-Br

Molecular Weight

  • 137.019
 
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Names and Synonyms

Name of Substance

  • Butyl bromide
  • n-Butyl bromide

Synonyms

  • 1-Bromobutane
  • 1-Butyl bromide
  • AI3-15308
  • Butyl bromide
  • CCRIS 831
  • EC 203-691-9
  • EINECS 203-691-9
  • HSDB 2195
  • UNII-SAV6Y78U3D

Systematic Names

  • 1-Bromobutane
  • Butane, 1-bromo-
  • Butyl bromide

Superlist Names

  • 1-Bromobutane [UN1126] [Flammable liquid]
  • Butane, 1-bromo-
  • Butyl bromide
  • n-Butylbromide
  • UN1126

Registry Numbers

CAS Registry Number

  • 109-65-9

FDA UNII

  • SAV6Y78U3D

System Generated Number

  • 0000109659

Structure Descriptors

InChI

1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3

InChIKey

MPPPKRYCTPRNTB-UHFFFAOYSA-N

Smiles

C(CC)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 25800mg/m3 (25800mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 1424mg/kg (1424mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.
rat LD50 intraperitoneal 4450mg/kg (4450mg/kg)   Journal fuer Praktische Chemie. Vol. 320, Pg. 133, 1978.
rat LD50 oral 2761mg/kg (2761mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0540435,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.12E+02 deg C   EXP
Boiling Point 101.6 deg C   EXP
log P (octanol-water) 2.75 (none)   EXP
Water Solubility 869 mg/L 25 EXP
Vapor Pressure 42 mm Hg 25 EXP
Henry's Law Constant 8.71E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.50E-12 cm3/molecule-sec 25 EXP

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