3-Isothiocyanatobenzoic acid
CAS Registry Number®
2131-63-7
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CAS Name
3-Isothiocyanatobenzoic acidMolecular Formula
C8H5NO2SMolecular Mass
179.20Cite this Page
3-Isothiocyanatobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2131-63-7 (retrieved ) (CAS RN: 2131-63-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
165 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)
InChIKey
InChIKey=PJRBPKOOGLKPFB-UHFFFAOYSA-N
SMILES
N(=C=S)C1=CC(C(O)=O)=CC=C1
Canonical SMILES
O=C(O)C=1C=CC=C(N=C=S)C1
Other Names for this Substance
- Benzoic acid, 3-isothiocyanato-
- Benzoic acid, m-isothiocyanato-
- 3-Isothiocyanatobenzoic acid
- m-Isothiocyanatobenzoic acid
- 3-Carboxyphenyl isothiocyanate
