2-Nitro-4-(trifluoromethyl)benzeneacetonitrile

CAS Registry Number®

13544-06-4

CAS Name

2-Nitro-4-(trifluoromethyl)benzeneacetonitrile

Molecular Formula

C9H5F3N2O2

Molecular Mass

230.14

Cite this Page

2-Nitro-4-(trifluoromethyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13544-06-4 (retrieved 2024-11-24) (CAS RN: 13544-06-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    134-138 °C

  • Melting Point (1)

    37-38 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H5F3N2O2/c10-9(11,12)7-2-1-6(3-4-13)8(5-7)14(15)16/h1-2,5H,3H2

InChIKey

InChIKey=CSRSFUABKGQLSY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

  • Benzeneacetonitrile, 2-nitro-4-(trifluoromethyl)-
  • Acetonitrile, (α,α,α-trifluoro-2-nitro-p-tolyl)-
  • 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile
  • 4-Trifluoromethyl-2-nitrobenzeneacetonitrile
  • (2-Nitro-4-trifluoromethylphenyl)acetonitrile

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