4-Nitrophenyl isothiocyanate

CAS Registry Number®

2131-61-5

CAS Name

4-Nitrophenyl isothiocyanate

Molecular Formula

C7H4N2O2S

Molecular Mass

180.18

Cite this Page

4-Nitrophenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2131-61-5 (retrieved 2024-11-22) (CAS RN: 2131-61-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    137-138 °C
  • Melting Point (1)

    110-112 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NXHSSIGRWJENBH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-isothiocyanato-4-nitro-
  • Isothiocyanic acid, p-nitrophenyl ester
  • 1-Isothiocyanato-4-nitrobenzene
  • p-Nitrophenyl isothiocyanate
  • 4-Nitrophenyl isothiocyanate

Deleted or Replaced CAS Registry Numbers

391256-09-0, 2756239-56-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration