AG0035QZ

456-56-4 | Trifluoromethylthiobenzene

AG0035QZ

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CAS Number	456-56-4
Catalog Number	AG0035QZ(AGN-PC-0JL86Z)
Chemical Name	Trifluoromethylthiobenzene
EC Number	207-270-0
IUPAC Name	trifluoromethylsulfanylbenzene
InChI	InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChI Key	YQQKTCBMKQQOSM-UHFFFAOYSA-N
MDL Number	MFCD00040839
Molecular Formula	C7H5F3S
Molecular Weight	178.1748
SMILES	FC(SC1=CC=CC=C1)(F)F
Synonyms	Phenyl trifluoromethyl sulfide, 456-56-4, Trifluoromethylthiobenzene, (Trifluoromethylthio)benzene, ((Trifluoromethyl)thio)benzene, Benzene, [(trifluoromethyl)thio]-, trifluoromethyl phenyl sulfide, [(trifluoromethyl)thio]benzene, PHENYL(TRIFLUOROMETHYL)SULFANE, trifluoromethylsulfanylbenzene, Phenyl trifluoromethyl sulphide, YQQKTCBMKQQOSM-UHFFFAOYSA-N, MFCD00040839, W-106117, EINECS 207-270-0, PubChem10400, AC1Q4KJO, Phenyl trifluoromethylsulfide, SCHEMBL777056, ACMC-209k46, AC1L28U5, phenyl (trifluoromethyl) sulfide, DTXSID50196568, [(Trifluoromethyl)sulfanyl]benzene, KS-00000UQ2, ZINC1847401, ZX-AP003948, [(Trifluoromethyl)sulfanyl]benzene #, 3931AE, ACM456564, ANW-30340, FCH931299, PC6229, Phenyl trifluoromethyl sulfide, 98%, alpha,alpha,alpha-Trifluorothioanisole, AKOS006222962, AS05750, CM12323, RTR-032828, AN-45041, CC-33670, CJ-30289, TR-032828, FT-0632159, P1693, K-9044, C-06361, Phenyl trifluoromethyl sulfide(Trifluoromethylthiobenzene), C7H5F3S, C7-H5-F3-S, KST-1A5014, Benzene, ((trifluoromethyl)thio)-, CID68011, AR-1A0039, ZINC01847401, Phenyl trifluoromethyl sulfide, 98% - 25G 25g, 490-83-5,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.006g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.172g/mol
Monoisotopic Mass	178.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P301+P330+P331-P302+P352-P304+P312-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number