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Substance Name: Benzene, 1-bromo-2-(trifluoromethyl)-
RN: 392-83-6
InChIKey: RWXUNIMBRXGNEP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H4-Br-F3

Molecular Weight

  • 225.007
 
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Names and Synonyms

Synonyms

  • 2-Brombenzotrifluorid
  • 2-Brombenzotrifluorid [Czech]
  • 2-Bromobenzotrifluoride
  • 4-05-00-00831 (Beilstein Handbook Reference)
  • Benzene, 1-bromo-2-(trifluoromethyl)-
  • BRN 1945750
  • EINECS 206-879-9
  • o-(Trifluoromethyl)bromobenzene
  • o-Bromobenzotrifluoride
  • o-Bromobenzyltrifluoride
  • Toluene, alpha,alpha,alpha-trifluoro-2-bromo-

Systematic Names

  • 2-Bromo-alpha,alpha,alpha-trifluorotoluene
  • Benzene, 1-bromo-2-(trifluoromethyl)-
  • Toluene, o-bromo-alpha,alpha,alpha-trifluoro-

Registry Numbers

CAS Registry Number

  • 392-83-6

System Generated Number

  • 0000392836

Structure Descriptors

InChI

1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

RWXUNIMBRXGNEP-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Br)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2720mg/kg (2720mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 32, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 167.5 deg C   EXP
log P (octanol-water) 3.850 (none)   EST
Atmospheric OH Rate Constant 2.47E-13 cm3/molecule-sec 25 EST

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