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CAS Number: 23165-29-9
1-isothiocyanato-3,5-bis(trifluoromethyl)benzene

Structure

1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
Synonyms:
General Information
Product Number: 23165299

CAS Registry Number 23165-29-9
Name:
Benzene, 1-​isothiocyanato-​3,​5-​bis(trifluoromethyl)​-
Isothiocyanic acid, α,α,α,α',α',α'-hexafluoro-3,5-xylyl ester (8CI)
1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene
3,5-Bis(trifluoromethyl)phenyl isothiocyanate

 

Chemical Formula: C9H3F6NS
Exact Mass: 270.99
Molecular Weight: 271.18
m/z: 270.99 (100.0%), 271.99 (10.9%), 272.98 (4.5%)

 

InChI:InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChI Key:FXOSSGVJGGNASE-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(F)(F)F)N=C=S)C(F)(F)F

Specification

98%

References
  1. (1) Kotke, Mike; Synthesis 2007, (5), P779-790 CAPLUS
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