4-Isothiocyanatobenzeneacetic acid

CAS Registry Number®

2131-56-8
No image available.

CAS Name

4-Isothiocyanatobenzeneacetic acid

Molecular Formula

C9H7NO2S

Molecular Mass

193.22

Cite this Page

4-Isothiocyanatobenzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2131-56-8 (retrieved 2024-09-06) (CAS RN: 2131-56-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2S/c11-9(12)5-7-1-3-8(4-2-7)10-6-13/h1-4H,5H2,(H,11,12)

InChIKey

InChIKey=HQHRFCZZJLWJKI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC1=CC=C(N=C=S)C=C1

Other Names for this Substance

  • Benzeneacetic acid, 4-isothiocyanato-
  • Acetic acid, (p-isothiocyanatophenyl)-
  • Isothiocyanic acid, α-carboxy-p-tolyl ester
  • 4-Isothiocyanatobenzeneacetic acid
  • p-Isothiocyanatophenylacetic acid

View All