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Substance Name: 3-Bromotoluene
RN: 591-17-3
UNII: 9426O61G73
InChIKey: WJIFKOVZNJTSGO-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br

Molecular Weight

  • 171.0363
 
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Names and Synonyms

Name of Substance

  • 3-Bromotoluene

Synonyms

  • 1-Bromo-3-methylbenzene
  • 3-Bromo-1-methylbenzene
  • 3-Bromotoluene
  • 3-Methyl-1-bromobenzene
  • 3-Methylbromobenzene
  • 4-05-00-00827 (Beilstein Handbook Reference)
  • 5-Bromotoluene
  • Benzene, 1-bromo-3-methyl-
  • BRN 1903633
  • CCRIS 5981
  • EINECS 209-702-3
  • HSDB 6014
  • m-Bromotoluene
  • m-Methylbromobenzene
  • m-Tolyl bromide
  • Toluene, 3-bromo-
  • Toluene, m-bromo-
  • UNII-9426O61G73

Systematic Names

  • 3-Bromotoluene
  • Benzene, 1-bromo-3-methyl-
  • m-Bromotoluene
  • Toluene, m-bromo-

Registry Numbers

CAS Registry Number

  • 591-17-3

FDA UNII

  • 9426O61G73

System Generated Number

  • 0000591173

Structure Descriptors

InChI

1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey

WJIFKOVZNJTSGO-UHFFFAOYSA-N

Smiles

c1c(cccc1Br)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1215mg/kg (1215mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 1436mg/kg (1436mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.98E+01 deg C   EXP
Boiling Point 183.7 deg C   EXP
log P (octanol-water) 3.41 (none)   EXP
Water Solubility 51.3 mg/L   EXP
Vapor Pressure 1.53 mm Hg 25 EXP
Henry's Law Constant 6.71E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.34E-12 cm3/molecule-sec 25 EST

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