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Substance Name: 4-Bromotoluene
RN: 106-38-7
UNII: 9E349GQ7EU
InChIKey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Br

Molecular Weight

  • 171.0363
 
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Names and Synonyms

Name of Substance

  • 4-Bromotoluene

Synonyms

  • 1-Bromo-4-methylbenzene
  • 1-Methyl-4-bromobenzene
  • 4-Bromo-1-methylbenzene
  • 4-Bromotoluene
  • 4-Methyl-1-bromobenzene
  • 4-Methylbromobenzene
  • 4-Methylphenyl bromide
  • 4-Tolyl bromide
  • AI3-28596
  • Benzene, 1-bromo-4-methyl-
  • CCRIS 5983
  • EINECS 203-391-8
  • HSDB 6015
  • NSC 6531
  • p-Bromotoluene
  • p-Methylbromobenzene
  • p-Methylphenyl bromide
  • p-Tolyl bromide
  • Parabromotoluene
  • Toluene, 4-bromo-
  • Toluene, p-bromo-
  • UNII-9E349GQ7EU

Systematic Names

  • 4-Bromotoluene
  • Benzene, 1-bromo-4-methyl-
  • p-Bromotoluene
  • Toluene, p-bromo-

Superlist Names

  • Benzene, 1-bromo-4-methyl-
  • p-Bromotoluene

Registry Numbers

CAS Registry Number

  • 106-38-7

FDA UNII

  • 9E349GQ7EU

System Generated Number

  • 0000106387

Structure Descriptors

InChI

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

InChIKey

ZBTMRBYMKUEVEU-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)Br)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 1300mg/m3 (1300mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 1741mg/kg (1741mg/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 28.5 deg C   EXP
Boiling Point 184.3 deg C   EXP
log P (octanol-water) 3.42 (none)   EXP
Water Solubility 110 mg/L 25 EXP
Vapor Pressure 1.15 mm Hg 25 EXP
Henry's Law Constant 0.00233 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.64E-12 cm3/molecule-sec 25 EST

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