3-Nitrophenyl isothiocyanate

CAS Registry Number®

3529-82-6

CAS Name

3-Nitrophenyl isothiocyanate

Molecular Formula

C7H4N2O2S

Molecular Mass

180.18

Cite this Page

3-Nitrophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3529-82-6 (retrieved 2024-11-23) (CAS RN: 3529-82-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180 °C @ Press: 15 Torr

  • Melting Point (1)

    56 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H

InChIKey

InChIKey=OEZXLKSZOAWNJU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isothiocyanato-3-nitro-
  • Isothiocyanic acid, m-nitrophenyl ester
  • 1-Isothiocyanato-3-nitrobenzene
  • m-Nitrophenyl isothiocyanate
  • 3-Nitrophenyl isothiocyanate

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