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CAS Number: 57878-93-0
2-chloro-1-isothiocyanato-4-methylbenzene

Structure

2-chloro-1-isothiocyanato-4-methylbenzene
Name: 2-chloro-1-isothiocyanato-4-methylbenzene
Synonyms:
General Information
Product Number: 57878930

CAS Registry Number 57878-93-0
Name:
Benzene, 2-?chloro-?1-?isothiocyanato-?4-?methyl-
2-Chloro-1-isothiocyanato-4-methylbenzene
2-Chloro-4-methylphenyl isothiocyanate

 

Chemical Formula: C8H6ClNS
Exact Mass: 182.99
Molecular Weight: 183.66
m/z: 182.99 (100.0%), 184.99 (36.6%), 183.99 (9.8%), 185.99 (3.6%), 186.98 (1.4%)

 

InChI:InChI=1S/C8H6ClNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3

InChI Key:UIZZXGXTVVWRED-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1)N=C=S)Cl

Specification

98%

References

PCT Int. Appl. (2013), WO 2013192126 A1 20131227. 

PCT Int. Appl. (2012), WO 2012055995 A1 20120503.

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