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Substance Name: 2-Bromotoluene
RN: 95-46-5
UNII: TBG2F2VA19
InChIKey: QSSXJPIWXQTSIX-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br

Molecular Weight

  • 171.0363
 
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Names and Synonyms

Name of Substance

  • 2-Bromotoluene

Synonyms

  • 1-Bromo-2-methylbenzene
  • 1-Methyl-2-bromobenzene
  • 2-Bromotoluene
  • 2-Methylbromobenzene
  • 2-Tolyl bromide
  • AI3-26648
  • Benzene, 1-bromo-2-methyl-
  • CCRIS 5982
  • EINECS 202-421-7
  • HSDB 6013
  • NSC 6532
  • o-Bromotoluene
  • o-Methylphenyl bromide
  • o-Tolyl bromide
  • o-Tolylbromide
  • Toluene, 2-bromo-
  • Toluene, o-bromo-
  • UNII-TBG2F2VA19

Systematic Names

  • 2-Bromotoluene
  • Benzene, 1-bromo-2-methyl-
  • o-Bromotoluene
  • Toluene, o-bromo-

Superlist Names

  • Benzene, 1-bromo-2-methyl-
  • o-Bromotoluene

Registry Numbers

CAS Registry Number

  • 95-46-5

FDA UNII

  • TBG2F2VA19

System Generated Number

  • 0000095465

Structure Descriptors

InChI

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

InChIKey

QSSXJPIWXQTSIX-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Br)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1358mg/kg (1358mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 1864mg/kg (1864mg/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 -2.78E+01 deg C   EXP
Boiling Point 181.7 deg C   EXP
log P (octanol-water) 3.430 (none)   EST
Water Solubility 107 mg/L 25 EST
Vapor Pressure 1.04 mm Hg 25 EXP
Henry's Law Constant 2.39E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.64E-12 cm3/molecule-sec 25 EST

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