1-Ethynyl-3-nitrobenzene

CAS Registry Number®

3034-94-4

CAS Name

1-Ethynyl-3-nitrobenzene

Molecular Formula

C8H5NO2

Molecular Mass

147.13

Cite this Page

1-Ethynyl-3-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3034-94-4 (retrieved 2024-11-24) (CAS RN: 3034-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120 °C @ Press: 11 Torr

  • Melting Point (2)

    27 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H

InChIKey

InChIKey=JOUOQPWPDONKKS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-ethynyl-3-nitro-
  • 1-Ethynyl-3-nitrobenzene
  • m-Nitrophenylacetylene
  • (m-Nitrophenyl)ethyne
  • 3-Nitrophenylacetylene

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