AG003M2O

651-84-3 | 4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol

AG003M2O

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CAS Number	651-84-3
Catalog Number	AG003M2O(AGN-PC-0JTWOJ)
Chemical Name	4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol
IUPAC Name	2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiol
InChI	InChI=1S/C7HF7S/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
InChI Key	BXMOMKVOHOSVJH-UHFFFAOYSA-N
MDL Number	MFCD00191594
Molecular Formula	C7HF7S
Molecular Weight	250.1367
SMILES	SC1=C(F)C(F)=C(C(F)(F)F)C(F)=C1F
Synonyms	651-84-3, 4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorothiophenol, 4-(Trifluoromethyl)tetrafluorothiophenol, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene-1-thiol, Benzenethiol,2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, AC1LDJBQ, ACMC-209npo, C7HF7S, SCHEMBL1436243, CTK5C2328, DTXSID20347262, PC7769C, BXMOMKVOHOSVJH-UHFFFAOYSA-N, ZINC2556904, ZX-AP002675, 7447AE, ANW-35002, BBL102243, KM0908, MFCD00191594, SBB100700, STL556042, AKOS015852648, VZ29764, Tetrafluoro-4-(trifluoromethyl)thiophenol, PS-10074, DB-054771, TL8004622, TR-022212, FT-0616948, 2,3,5,6-tetrafluoro-4-trifluoromethylbenzenethiol, 2,3,5,6-tetra-fluoro-4-trifluoromethylbenzenethiol, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)thiophenol, I01-10416, 4-Mercapto-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene, 4-TRIFLUOROMETHYL-2,3,5,6-TETRAFLUOROTHIOPHENOL 97+%, 4-trifluoromethyl-2,3,5,6-tetrafluorothiophenol, AldrichCPR, CID619538, ZINC02556904, T1542, Tetrafluoro-4-(trifluoromethyl)thiophenol 100g,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.969g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.134g/mol
Monoisotopic Mass	249.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H315-H319-H226
Packing Group	Ⅲ
Precautionary statements	P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
UN Code	UN 1228

Certificate of Analysis

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