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CAS Number: 32265-82-0
5-bromo-2-isothiocyanato-1,3-dimethylbenzene

Structure

 5-bromo-2-isothiocyanato-1,3-dimethylbenzene
Name: 5-bromo-2-isothiocyanato-1,3-dimethylbenzene
Synonyms:
General Information
Product Number: 32265820

CAS Registry Number 32265-82-0
Name:
Benzene, 5-?bromo-?2-?isothiocyanato-?1,?3-?dimethyl-
Isothiocyanic acid, 4-bromo-2,6-xylyl ester (8CI)
4-Bromo-2,6-dimethylphenyl isothiocyanate

 

Chemical Formula: C9H8BrNS
Exact Mass: 240.96
Molecular Weight: 242.14
m/z: 242.95 (100.0%), 240.96 (98.2%), 241.96 (10.4%), 243.96 (9.8%), 244.95 (4.4%), 243.95 (1.1%)

 

InChI:InChI=1S/C9H8BrNS/c1-6-3-8(10)4-7(2)9(6)11-5-12/h3-4H,1-2H3

InChI Key:CAANWLMQHPUROR-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1N=C=S)C)Br

Specification

98%
References

PCT Int. Appl. (2006), WO 2006122769 A2 20061123. 

PCT Int. Appl. (2006), WO 2006122770 A1 20061123.
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