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CAS Number: 3137-84-6
ethyl 3-isothiocyanatobenzoate

Structure

ethyl 3-isothiocyanatobenzoate
Name: ethyl 3-isothiocyanatobenzoate
Synonyms:
General Information
Product Number: 3137846

CAS Registry Number 3137-84-6
Name:
Benzoic acid, 3-​isothiocyanato-​, ethyl ester
Benzoic acid, m-isothiocyanato-, ethyl ester (7CI,8CI)
3-Ethoxycarbonylphenyl isothiocyanate

 

Chemical Formula: C10H9NO2S
Exact Mass: 207.04
Molecular Weight: 207.25
m/z: 207.04 (100.0%), 208.04 (11.0%), 209.03 (4.5%), 208.03 (1.2%), 209.04 (1.1%)

 

InChI:InChI=1S/C10H9NO2S/c1-2-13-10(12)8-4-3-5-9(6-8)11-7-14/h3-6H,2H2,1H3

InChI Key:MCHONYMFRSKTLR-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC(=CC=C1)N=C=S

Specification

98%

References

PCT Int. Appl. (2006), WO 2006064189 A1 20060622.

PCT Int. Appl. (2004), WO 2004087680 A1 20041014.

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