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CAS Number: 3694-57-3
1-(isothiocyanatomethyl)-4-methoxybenzene

Structure

 1-(isothiocyanatomethyl)-4-methoxybenzene
Name: 1-(isothiocyanatomethyl)-4-methoxybenzene
Synonyms:
General Information
Product Number: 3694573

CAS Registry Number 3694-57-3
Name:
Benzene, 1-?(isothiocyanatomethy?l)?-?4-?methoxy-
Isothiocyanic acid, p-methoxybenzyl ester (6CI,7CI,8CI)
1-Isothiocyanatomethyl-4-methoxybenzene
4-Methoxybenzyl isothiocyanate
p-Methoxybenzyl isothiocyanate
α-Isothiocyanato-p-methoxytoluene

 

Chemical Formula: C9H9NOS
Exact Mass: 179.04
Molecular Weight: 179.24
m/z: 179.04 (100.0%), 180.04 (10.9%), 181.04 (4.8%)

 

InChI:InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3

InChI Key:IMFQYAJJXFXVMM-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=C(C=C1)CN=C=S

Specification

98%
References
  1. (1) Kjaer, Anders; Acta Chemica Scandinavica 1956, V10, P26-31 CAPLUS
  2. (2) Profft, Elmar; Archiv fuer Experimentelle Veterinaermedizin 1967, V21(1), P225-33 CAPLUS
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