CAS:16024-82-1 / methyl 2-isothiocyanatobenzoate--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 16024-82-1
methyl 2-isothiocyanatobenzoate

Structure
Name: methyl 2-isothiocyanatobenzoate
Synonyms:

General Information

Product Number: 16024821

CAS Registry Number: 16024-82-1

Name:

Benzoic acid, 2-isothiocyanato-, methyl ester

Benzoic acid, o-isothiocyanato-, methyl ester (6CI,7CI,8CI); 2-(Methoxycarbonyl)phenyl isothiocyanate; Methyl 2-isothiocyanatobenzoate

Chemical Formula: C9H7NO2S

Exact Mass: 193.02

Molecular Weight: 193.22

m/z: 193.02 (100.0%), 194.02 (11.0%), 195.02 (5.0%)

Elemental Analysis: C, 55.94; H, 3.65; N, 7.25; O, 16.56; S, 16.59

InChI: InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3

InChIKey: UNXVHBOJSCWVCD-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C1=CC=CC=C1N=C=S

Thermal Properties	Value	Condition	Note
Boiling Point	124-125 °C	Press: 3 Torr	(1)IC
Boiling Point	100-102 °C	Press: 0.35 Torr	(2)CAS

Specification

98%

References

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