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Substance Name: 4-Nitro-alpha,alpha,alpha-trifluorotoluene
RN: 402-54-0
InChIKey: XKYLCLMYQDFGKO-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-F3-N-O2

Molecular Weight

  • 191.108
 
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Names and Synonyms

Synonyms

  • EINECS 206-948-3
  • NSC 159121

Systematic Names

  • 4-Nitro-alpha,alpha,alpha-trifluorotoluene
  • Benzene, 1-nitro-4-(trifluoromethyl)-

Superlist Name

  • p-Nitrobenzotrifluoride

Registry Numbers

CAS Registry Number

  • 402-54-0

System Generated Number

  • 0000402540

Structure Descriptors

InChI

1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H

InChIKey

XKYLCLMYQDFGKO-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)C(F)(F)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 39 deg C   EXP
log P (octanol-water) 2.55 (none)   EXP
Water Solubility 131 mg/L 25 EST
Vapor Pressure 0.147 mm Hg 25 EST
Henry's Law Constant 1.85E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.69E-14 cm3/molecule-sec 25 EST

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