Benzoic acid, 2-isothiocyanato-, methyl ester
CAS Registry Number®
16024-82-1
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CAS Name
Benzoic acid, 2-isothiocyanato-, methyl esterMolecular Formula
C9H7NO2SMolecular Mass
193.22Cite this Page
Benzoic acid, 2-isothiocyanato-, methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16024-82-1 (retrieved ) (CAS RN: 16024-82-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
100-102 °C @ Press: 0.35 Torr
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3
InChIKey
InChIKey=UNXVHBOJSCWVCD-UHFFFAOYSA-N
SMILES
N(=C=S)C1=C(C(OC)=O)C=CC=C1
Canonical SMILES
O=C(OC)C=1C=CC=CC1N=C=S
Other Names for this Substance
- Benzoic acid, 2-isothiocyanato-, methyl ester
- Benzoic acid, o-isothiocyanato-, methyl ester
- Methyl 2-isothiocyanatobenzoate
- 2-(Methoxycarbonyl)phenyl isothiocyanate
- 2-Isothiocyanato-benzoic acid methyl ester
