2-Chloro-5-(trifluoromethyl)benzonitrile

CAS Registry Number®

328-87-0

CAS Name

2-Chloro-5-(trifluoromethyl)benzonitrile

Molecular Formula

C8H3ClF3N

Molecular Mass

205.56

Cite this Page

2-Chloro-5-(trifluoromethyl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=328-87-0 (retrieved 2024-11-22) (CAS RN: 328-87-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210-212 °C

  • Melting Point (2)

    38.5-39.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H

InChIKey

InChIKey=LCISFYAQKHOWBP-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=CC(C#N)=C(Cl)C=C1

Canonical SMILES

N#CC1=CC(=CC=C1Cl)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 2-chloro-5-(trifluoromethyl)-
  • m-Tolunitrile, 6-chloro-α,α,α-trifluoro-
  • 2-Chloro-5-(trifluoromethyl)benzonitrile
  • 1-Chloro-2-cyano-4-(trifluoromethyl)benzene
  • 6-Chloro-α,α,α-trifluoro-m-tolunitrile

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