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CAS Number: 63429-99-2
4-chloro-2-isothiocyanato-1-methoxybenzene

Structure

 4-chloro-2-isothiocyanato-1-methoxybenzene
Name: 4-chloro-2-isothiocyanato-1-methoxybenzene
Synonyms:
General Information
Product Number: 63429992

CAS Registry Number 63429-99-2
Name:
Benzene, 4-?chloro-?2-?isothiocyanato-?1-?methoxy-
Isothiocyanic acid, 5-chloro-2-methoxyphenyl ester (7CI)
4-Chloro-2-isothiocyanato-1-methoxybenzene
2-Methoxy-5-chlorophenyl isothiocyanate
5-Chloro-2-methoxyphenyl isothiocyanate

 

Chemical Formula: C8H6ClNOS
Exact Mass: 198.99
Molecular Weight: 199.66
m/z: 198.99 (100.0%), 200.98 (36.5%), 199.99 (9.6%), 201.99 (3.2%), 202.98 (1.5%)

 

InChI:InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3

InChI Key:WGLDKQQXEWPFAR-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)Cl)N=C=S

Specification

98%
References

PCT Int. Appl. (2012), WO 2012068211 A1 20120524.                                 

PCT Int. Appl. (2009), WO 2009156865 A1 20091230.                                 
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