5042-25-1
ALPHA-(TRIFLUOROMETHYL)BENZYL BENZENESULFONATE
NameALPHA-(TRIFLUOROMETHYL)BENZYL BENZENESULFONATE
1Identification
【Name】
ALPHA-(TRIFLUOROMETHYL)BENZYL BENZENESULFONATE
【CAS】
【MDL】
MFCD00025028
【English Synonyms】
【Formula】
C14 H11 F3 O3 S
【MolWeight】
316.298
【Inchi】
InChI=1S/C14H11F3O3S/c15-14(16,17)13(11-7-3-1-4-8-11)20-21(18,19)12-9-5-2-6-10-12/h1-10,13H
【InChIKey】
InChIKey=BIQCDOIVHGBFIV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(C(F)(F)F)OS(=O)(=O)c2ccccc2
【MOL File】
ALPHA-(TRIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-(TRIFLUOROMETHYL)BENZYL BENZENESULFONATE.cml