1533425-23-8
2-chloro-4-isothiocyanato-6-(trifluoromethyl)benzonitrile
Name2-chloro-4-isothiocyanato-6-(trifluoromethyl)benzonitrile
1Identification
【Name】
2-chloro-4-isothiocyanato-6-(trifluoromethyl)benzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C9H2ClF3N2S
【MolWeight】
262.639
【Inchi】
InChI=1S/C9H2ClF3N2S/c10-8-2-5(15-4-16)1-7(6(8)3-14)9(11,12)13/h1-2H
【InChIKey】
InChIKey=KNRPFTQCQBLDHS-UHFFFAOYSA-N
【SMILES】
ClC1=C(C#N)C(=CC(=C1)N=C=S)C(F)(F)F
【MOL File】
2-chloro-4-isothiocy….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2-chloro-4-isothiocyanato-6-(trifluoromethyl)benzonitrile.cml