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Substance Name: (2-Bromoethyl)benzene
RN: 103-63-9
UNII: 96O442668X
InChIKey: WMPPDTMATNBGJN-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Br

Molecular Weight

  • 185.063
 
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Names and Synonyms

Name of Substance

  • (2-Bromoethyl)benzene

Synonyms

  • (2-Bromoethyl)benzene
  • 1-Bromo-2-phenylethane
  • 2-Phenethyl bromide
  • 2-Phenyl-1-bromoethane
  • 2-Phenylethyl bromide
  • AI3-11264
  • Benzene, (2-bromoethyl)-
  • beta-Bromoethylbenzene
  • EINECS 203-130-8
  • HSDB 5352
  • NSC 33926
  • Phenethyl bromide
  • Phenylethyl bromide
  • Phenylethyl bromide (VAN)
  • UNII-96O442668X

Systematic Names

  • 1-Bromo-2-phenylethane
  • Benzene, (2-bromoethyl)-

Registry Numbers

CAS Registry Number

  • 103-63-9

FDA UNII

  • 96O442668X

System Generated Number

  • 0000103639

Structure Descriptors

InChI

InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

WMPPDTMATNBGJN-UHFFFAOYSA-N

Smiles

BrCCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 811mg/kg (811mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0536710,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.57E+01 deg C   EXP
Boiling Point 219 deg C   EXP
log P (octanol-water) 3.09 (none)   EXP
Water Solubility 39.1 mg/L 25 EXP
Vapor Pressure 0.245 mm Hg 25 EXP
Henry's Law Constant 1.52E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.60E-12 cm3/molecule-sec 25 EST

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