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CAS Number: 57135-68-9
1-chloro-2-isothiocyanato-4-nitrobenzene

Structure

 1-chloro-2-isothiocyanato-4-nitrobenzene
Name: 1-chloro-2-isothiocyanato-4-nitrobenzene
Synonyms:
General Information
Product Number: 57135689

CAS Registry Number 57135-68-9
Name:
Benzene, 1-?chloro-?2-?isothiocyanato-?4-?nitro-
1-Chloro-2-isothiocyanato-4-nitrobenzene
2-Chloro-5-nitrophenyl isothiocyanate

 

Chemical Formula: C7H3ClN2O2S
Exact Mass: 213.96
Molecular Weight: 214.63
m/z: 213.96 (100.0%), 215.96 (37.0%), 214.96 (9.2%), 216.96 (3.1%), 217.95 (1.4%)

 

InChI:InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(10(11)12)3-7(6)9-4-13/h1-3H

InChI Key:QSSZYQDXSYYXKK-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])N=C=S)Cl

Specification

98%
References

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

PCT Int. Appl. (2003), WO 2003032916 A2 20030424.                                 
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