AG0034MU

48209-28-5 | Copper(I) trifluoromethanesulfonate toluene complex

AG0034MU

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CAS Number	48209-28-5
Catalog Number	AG0034MU(AGN-PC-0RYXHT)
Chemical Name	Copper(I) trifluoromethanesulfonate toluene complex
IUPAC Name	copper(1+);toluene;trifluoromethanesulfonate
InChI	InChI=1S/C7H8.2CHF3O3S.2Cu/c1-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;;/h2-6H,1H3;2*(H,5,6,7);;/q;;;2*+1/p-2
InChI Key	ATUUSMBCJWYMEG-UHFFFAOYSA-L
MDL Number	MFCD01863766
Molecular Formula	C9H8Cu2F6O6S2
Molecular Weight	517.3686
SMILES	CC12=[CH]([Cu+]2[O-]S(=O)(C(F)(F)F)=O)[CH]3=[CH]([Cu+]3[O-]S(=O)(C(F)(F)F)=O)C=C1
Synonyms	Copper(I) trifluoromethanesulfonate toluene complex, 48209-28-5, CuOTf-toluene, Copper(I) triflate toluene complex, Cuprous trifluoromethanesulfonate toluene complex, Trifluoromethanesulfonic acid copper(I) salt toluene complex, SC10049, BP-12223, FT-0624054, Copper(I) trifluoromethanesulfonate toluene complex(2:1), MFCD01863766, CID11656500, CUPROUSTRIFLUOROMETHANESULFONATETOLUENECOMPLEX, Cuprous trifluoromethanesulfonate toluene complex, 98% - 1G 1g, 51913-38-3, IUPAC: Copper(+1) Cation; Methylcyclohexane; Trifluoromethanesulfonate,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	515.826g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	517.359g/mol
Monoisotopic Mass	515.826g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	131A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H372
Packing Group	Ⅲ
Precautionary statements	P264-P270-P280-P314-P370+P378-P403-P501
UN Code	UN 3181

Certificate of Analysis

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