5-Nitro-2-[(phenylmethyl)amino]benzonitrile

CAS Registry Number®

85020-88-8

CAS Name

5-Nitro-2-[(phenylmethyl)amino]benzonitrile

Molecular Formula

C14H11N3O2

Molecular Mass

253.26

Cite this Page

5-Nitro-2-[(phenylmethyl)amino]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85020-88-8 (retrieved 2024-10-07) (CAS RN: 85020-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-138 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H11N3O2/c15-9-12-8-13(17(18)19)6-7-14(12)16-10-11-4-2-1-3-5-11/h1-8,16H,10H2

InChIKey

InChIKey=PQBGADRPVXUZIG-UHFFFAOYSA-N

SMILES

N(CC1=CC=CC=C1)C2=C(C#N)C=C(N(=O)=O)C=C2

Canonical SMILES

N#CC1=CC(=CC=C1NCC=2C=CC=CC2)N(=O)=O

Other Names for this Substance

  • Benzonitrile, 5-nitro-2-[(phenylmethyl)amino]-
  • 5-Nitro-2-[(phenylmethyl)amino]benzonitrile
  • 2-(Benzylamino)-5-nitrobenzonitrile

CAS INSIGHTSTM
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