AG003CP9

494227-36-0 | (SP,S′P)-1,1′-Bis{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-2,2′-bis[(R)-α-(dimethylamino)benzyl]ferrocene

AG003CP9

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CAS Number	494227-36-0
Catalog Number	AG003CP9(AGN-PC-0S31ZP)
Chemical Name	(SP,S′P)-1,1′-Bis{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-2,2′-bis[(R)-α-(dimethylamino)benzyl]ferrocene
IUPAC Name	(1S)-1-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine;iron
InChI	InChI=1S/2C30H21F12NP.Fe/c2*1-43(2)26(17-7-4-3-5-8-17)24-9-6-10-25(24)44(22-13-18(27(31,32)33)11-19(14-22)28(34,35)36)23-15-20(29(37,38)39)12-21(16-23)30(40,41)42;/h2*3-16,26H,1-2H3;/t2*26-;/m11./s1
InChI Key	PYLZWHGISWCHOW-PMIUFOJNSA-N
MDL Number	MFCD04117703
Molecular Formula	C60H40F24FeN2P2
Molecular Weight	1362.7272
SMILES	[H]C12=C3[Fe+2]14567([C-]2(P(C8=CC(C(F)(F)F)=CC(C(F)(F)F)=C8)C9=CC(C(F)(F)F)=CC(C(F)(F)F)=C9)C4([C@@H](C%10=CC=CC=C%10)N(C)C)=C53[H])(C%11=C%126[C@@H](C%13=CC=CC=C%13)N(C)C)(C%11([H])=C%147[H])[C-]%12%14P(C%15=CC(C(F)(F)F)=CC(C(F)(F)F)=C%15)C%16=CC(C(F)(F)F)=CC(C(F)(F)F)=C%16
Synonyms	494227-36-0, (S,S)-(-)-2,2'-BIS[(R)-(N,N-DIMETHYLAMINO)(PHENYL)METHYL]-1,1'-BIS[DI(3,5-TRIFLUOROMETHYLPHENYL) PHOSPHINO]FERROCENE, SC11404, (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis[di(3,5-trifluoromethylphenyl)phosphino]ferrocene, (ALPHAR,ALPHAR)-1,1'-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(S,S)-,2'-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENE, (SP,S'P)-1,1'-Bis{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-2,2'-bis[(R)-alpha-(dimethylamino)benzyl]ferrocene, >=97%, MFCD04117703, (1R,1'R)-1,1'-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]-2,2'-BIS[(R)-(DIMETHYLAMINO)PHENYLMETHYL]FERROCENE;(ALPHAR,ALPHAR)-1,1'-BIS[ALPHA-(DIMETHYLAMINO)BENZYL]-(S,S)-,2'-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENE;(ALPHAR,ALPHAR)-2,2'-BIS(ALPHA-N,N-DIMETHYLAMINOPHENYLMETHYL)-(S,S)-1,1'-BIS[DI(BIS-(3,5-TRIFLUOROMETHYL)PHENYL)PHOSPHINO]FERROCENE;(AR,AR)-2,2'-BIS(A-N,N-DIMETHYLAMINOPHENYLMETHYL)-(S,S)-1,1'-BIS[DI(BIS-(3,5-TRIFLUOROMETHYL)PHENYL)-PHOSPHINO]FERROCENE;(S,S)-(-)-2,2'-BIS[(R)-(N N-DIMETHYLAMINO)(PHENYL)METHYL]-1,1'-DI[BIS(3,5-TRIFLUOROMETHYLPHENYL)PHOSPHINO]FERROCENE;(S,S)-(-)-2,2'-BIS[(R)-(N,N-DIMETHYLAMINO)(PHENYL)METHYL]-1,1'-BIS[DI(3,5-TRIFLUOROMETHYLPHENYL) PHOSPHINO]FERROCENE;(SP,S'P)-1,1'-BIS[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]-2,2'-BIS[(R)-ALPHA-(DIMETHYLAMINO)BENZYL]FERROCENE;MANDYPHOS SL-M003-1;(S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino,

Complexity	829
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	1364.178935g/mol
Formal Charge	0
Heavy Atom Count	89
Hydrogen Bond Acceptor Count	26
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1364.7g/mol
Monoisotopic Mass	1364.178935g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	6.5Ų
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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