4-Isothiocyanatobenzeneacetic acid
CAS Registry Number®
2131-56-8
CAS Name
4-Isothiocyanatobenzeneacetic acidMolecular Formula
C9H7NO2SMolecular Mass
193.22Cite 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 ) (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
