AG003ODH

32133-82-7 | Bis[alpha,alpha-bis(trifluoromethyl)benzenemethanolato]diphenylsulfur

AG003ODH

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CAS Number	32133-82-7
Catalog Number	AG003ODH(AGN-PC-0R7G96)
Chemical Name	Bis[alpha,alpha-bis(trifluoromethyl)benzenemethanolato]diphenylsulfur
IUPAC Name	bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-diphenyl-λ4-sulfane
InChI	InChI=1S/C30H20F12O2S/c31-27(32,33)25(28(34,35)36,21-13-5-1-6-14-21)43-45(23-17-9-3-10-18-23,24-19-11-4-12-20-24)44-26(29(37,38)39,30(40,41)42)22-15-7-2-8-16-22/h1-20H
InChI Key	RMIBJVUYNZSLSD-UHFFFAOYSA-N
MDL Number	MFCD00010662
Molecular Formula	C30H20F12O2S
Molecular Weight	672.5244
SMILES	S(OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)(OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1
UNII	F9631K90E5
Synonyms	Martin Sulfurane, 32133-82-7, Martin's sulfurane, Martin Sulfurane Dehydrating agent, Bis[alpha,alpha-bis(trifluoromethyl)benzenemethanolato]diphenylsulfur, UNII-F9631K90E5, F9631K90E5, Martin sulfurane [MI], AC1MTUIR, Bis(bis(trifluoromethyl)phenylmethoxy)diphenylsulfurane, SCHEMBL1356076, DTXSID90394127, C30H20F12O2S, RMIBJVUYNZSLSD-UHFFFAOYSA-N, Diphenyl-bis(1,1,1,3,3,3-hexafluoro-2-phenyl-2-propoxy)sulfurane, Diphenylbis(1,1,1,3,3,3-hexafluoro-2-phenyl-2-propoxy)sulfurane, MFCD00010662, ZINC150343072, Sulfur, bis(alpha,alpha-bis(trifluoromethyl)benzenemethanolato-kappaO)diphenyl-, (T-4)-, X3594, Bis[a,a-bis(trifluoromethyl)benzyloxy]diphenylsulfur, J-018645, Martin Sulfurane Dehydrating agent, technical grade, Bis[|A,|A-bis(trifluoromethyl)benzyloxy]diphenylsulfur, Bis[alpha,alpha-bis(trifluoromethyl)benzyloxy]diphenylsulfur, Bis[|A,|A-bis(trifluoromethyl)benzenemethanolato]diphenylsulfur, bis[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-diphenyl-, bis [alpha,alpha-bis(trifluoromethyl)benzenemethanolato]-diphenyl-sulfur, bis[alpha,alpha-bis(trifluoromethyl)benzene-methanolato]diphenylsulfur, CID3608068, CID 3608068, B2200, Sulfur, bis[[.alpha.,.alpha.-bis(trifluoromethyl)benzyl]oxy]diphenyl-, (T-4)-Bis[-alpha,-alpha-bis-nu(trifluoromethyl)benzenemethanolato-?O]diphenylsulfur, (T-4)-Bis[alpha,-alpha-bisNu(trifluoromethyl)benzenemethanolato-Kappa-O]diphenylsulfur, Sulfur, bis[.alpha.,.alpha.-bis(trifluoromethyl)benzenemethanolato]diphenyl-, (T-4)-,

Complexity	833
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	672.099g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	672.529g/mol
Monoisotopic Mass	672.099g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	19.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 3261

Certificate of Analysis

Lot Number