AG002XW2

292638-88-1 | Ferrocene, 1-[bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-2-[(1R)-1-(dicyclohexylphosphino)ethyl]-, (1R)-

AG002XW2

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CAS Number	292638-88-1
Catalog Number	AG002XW2(AGN-PC-0R4YBA)
Chemical Name	Ferrocene, 1-[bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-2-[(1R)-1-(dicyclohexylphosphino)ethyl]-, (1R)-
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]-cyclopentylphosphane;dicyclohexyl-[(1R)-1-cyclopentylethyl]phosphane;iron
InChI	InChI=1S/C21H10F12P.C19H30P.Fe/c22-18(23,24)11-5-12(19(25,26)27)8-16(7-11)34(15-3-1-2-4-15)17-9-13(20(28,29)30)6-14(10-17)21(31,32)33;1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;/h1-10H;8-11,16,18-19H,2-7,12-15H2,1H3;/t;16-;/m.1./s1
InChI Key	KTVPIJOSOMGQSL-RRKCIKGYSA-N
MDL Number	MFCD03426991
Molecular Formula	C40H34F12FeP2
Molecular Weight	860.4713
SMILES	C[C@@H](P(C1CCCCC1)C2CCCCC2)C34=C5[Fe+2]36789%10(C5([H])=C%116[H])([C-]%12C7=C8C9=C%10%12)[C-]4%11P(C%13=CC(C(F)(F)F)=CC(C(F)(F)F)=C%13)C%14=CC(C(F)(F)F)=CC(C(F)(F)F)=C%14
Synonyms	(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldicyclohexylphosphine, 292638-88-1, SC11410, (R)-(-)-1-[(S)-2-(DI(3,5-BIS-TRIFLUOROMETHYLPHENYL)PHOSPHINO)FERROCENYL]ETHYLDICYCLOHEXYLPHOSPHINE, (R)-(-)-1-[(S)-2-(di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl]ethyldicyclohexylphosphine, AldrichCPR, MFCD03426991, (R)-(-)-1-[(S)-2-(BIS(3,5-DI-TRIFLUOROMETHYL PHENYL)PHOSPHINO)FERROCENYL]ETHYLDICYCLOHEXYLPHOSPHINE;(R)-(-)-1-[(S)-2-(DI(3,5-BIS-TRIFLUOROMETHYLPHENYL)PHOSPHINO)FERROCENYL]ETHYLDICYCLOHEXYLPHOSPHINE;(R)-(-)-[(S)-2-(DI(3,5-BIS(TRIFLUOROMETHYL)PHENYL)PHOSPHINO)FERROCENYL]ETHYLDICYCLOHEXYLPHOSPHINE;(R)-1-[(S)-2-DI-(3,5-BIS(TRIFLUOROMETHYL)PHENYL-PHOSPHINO)FERROCENYL]-ETHYL-DICYCLOHEXYLPHOSPHINE;(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldicyclohexylphosphine,

Complexity	831
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	866.176299g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	866.5g/mol
Monoisotopic Mass	866.176299g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	0Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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