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CAS Number: 40532-06-7
2-isothiocyanato-1,4-dimethoxybenzene

Structure

 2-isothiocyanato-1,4-dimethoxybenzene
Name: 2-isothiocyanato-1,4-dimethoxybenzene
Synonyms:
General Information
Product Number: 40532067

CAS Registry Number 40532-06-7
Name:
Benzene, 2-?isothiocyanato-?1,?4-?dimethoxy-
2,5-Dimethoxyphenyl isothiocyanate

 

Chemical Formula: C9H9NO2S
Exact Mass: 195.04
Molecular Weight: 195.24
m/z: 195.04 (100.0%), 196.04 (9.9%), 197.03 (4.5%), 196.03 (1.2%)

 

InChI:InChI=1S/C9H9NO2S/c1-11-7-3-4-9(12-2)8(5-7)10-6-13/h3-5H,1-2H3

InChI Key:RADQLZMDTYWZKA-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=C(C=C1)OC)N=C=S

 

Thermal Properties Value Condition Note
Boiling Point 178-180 °C Press: 16 Torr (1)CAS
Melting Point 33 °C   (1)CAS

Specification

98%
References
  1. (1) Kauffmann, Hugo; Berichte der Deutschen Chemischen Gesellschaft 1910, V43, P1214-8 CAPLUS
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