AG003KC9

330-14-3 | 4-(Trifluoromethylthio)benzoyl chloride

AG003KC9

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CAS Number	330-14-3
Catalog Number	AG003KC9(AGN-PC-0KKYIX)
Chemical Name	4-(Trifluoromethylthio)benzoyl chloride
IUPAC Name	4-(trifluoromethylsulfanyl)benzoyl chloride
InChI	InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
InChI Key	BCMFTOCCLOAGBP-UHFFFAOYSA-N
MDL Number	MFCD00191452
Molecular Formula	C8H4ClF3OS
Molecular Weight	240.6300
SMILES	O=C(Cl)C1=CC=C(SC(F)(F)F)C=C1
Synonyms	4-(Trifluoromethylthio)benzoyl chloride, 330-14-3, 4-((Trifluoromethyl)thio)benzoyl chloride, 4-(trifluoromethylsulfanyl)benzoyl chloride, 4-trifluomethylthio benzoyl chloride, 4-[(trifluoromethyl)sulfanyl]benzoyl chloride, Benzoyl chloride, 4-[(trifluoromethyl)thio]-, 4-[(Trifluoromethyl)sulphanyl]benzoyl chloride, 4-[(Trifluoromethyl)thio]benzoyl chloride, 4-(Trifluoromethylthio)benzoylchloride, 4-trifluoromethylsulfanyl-benzoyl chloride, ACMC-209hxt, C8H4ClF3OS, AC1MCS19, AC1Q4KJ6, SCHEMBL282471, CTK3J6185, DTXSID10380688, BCMFTOCCLOAGBP-UHFFFAOYSA-N, 4-trifluoromethylthiobenzoylchloride, ACT03276, JRD-0976, ZINC2382351, ZX-AP002193, ANW-27519, MFCD01631632, PC0524, SBB067889, AKOS015853063, 4-(trifluoromethyl)thiobenzoyl chloride, 4-(trifluoromethylthio)-benzoylchloride, AM62334, CM12898, CS-W012803, FCH1320357, RTR-013843, TRA-0184661, 4-(trifluoro-methylthio)benzoyl chloride, AN-44341, BR-53799, PS-10734, TL8002490, TR-013843, FT-0616952, T2745, 4-(Trifluoromethylthio)benzoyl chloride, 97%, S-2649, 3-(Chlorocarbonyl)phenyl trifluoromethyl sulphide, A821564, C-42373, I01-1360, J-018975, ZINC02382351, ACN-055828, CID2777865, 4-((Trifluoromethyl)thio)benzoylchloride, 4-(Trifluoromethylthio)benzoyl chloride, 98% - 1G 1g,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.962g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.624g/mol
Monoisotopic Mass	239.962g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H226-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number