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Substance Name: 5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene
RN: 118-83-2
InChIKey: CFPIGEXZPWTNOR-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-Cl-F3-N-O2

Molecular Weight

  • 225.5527
 
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Names and Synonyms

Synonyms

  • 5-Chloro-2-nitrobenzotrifluoride
  • EC 204-280-7
  • EINECS 204-280-7

Systematic Name

  • 5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene

Registry Numbers

CAS Registry Number

  • 118-83-2

System Generated Number

  • 0000118832

Structure Descriptors

InChI

1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

InChIKey

CFPIGEXZPWTNOR-UHFFFAOYSA-N

Smiles

c1cc(c(cc1Cl)C(F)(F)F)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 100 mg/L 25 EXP
Vapor Pressure 0.022 mm Hg 25 EST
Henry's Law Constant 1.37E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.59E-14 cm3/molecule-sec 25 EST

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