α-Hydroxy-3-nitrobenzeneacetonitrile

CAS Registry Number®

13312-82-8
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CAS Name

α-Hydroxy-3-nitrobenzeneacetonitrile

Molecular Formula

C8H6N2O3

Molecular Mass

178.14

Cite this Page

α-Hydroxy-3-nitrobenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13312-82-8 (retrieved 2024-08-21) (CAS RN: 13312-82-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    183-187 °C @ Press: 12 Torr

  • Melting Point (2)

    162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H

InChIKey

InChIKey=IBMWJEGPSVVIOM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(O)C=1C=CC=C(C1)N(=O)=O

Other Names for this Substance

  • Benzeneacetonitrile, α-hydroxy-3-nitro-
  • Mandelonitrile, m-nitro-
  • α-Hydroxy-3-nitrobenzeneacetonitrile
  • (m-Nitrophenyl)glycolonitrile
  • 3-Nitrobenzaldehyde cyanohydrin