AG003C6Q

346457-41-8 | (R)-[(RuCl(SEGPHOS))2(μ-Cl)3][NH2Me2]

AG003C6Q

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CAS Number	346457-41-8
Catalog Number	AG003C6Q(AGN-PC-0RA14M)
Chemical Name	(R)-[(RuCl(SEGPHOS))2(μ-Cl)3][NH2Me2]
IUPAC Name	[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI	InChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/c2*1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1
InChI Key	GTKMQYLNAZIAEF-UHFFFAOYSA-M
MDL Number	MFCD09753037
Molecular Formula	C78H67Cl5NO8P4Ru2
Molecular Weight	1650.6765
SMILES	CNC.[Cl-][Ru+2]12([Cl-][Ru+2]34([Cl-])(P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(OCO8)C8=C7C9=C(OCO%10)C%10=CC=C9P4(C%11=CC=CC=C%11)C%12=CC=CC=C%12)[Cl-]2)([Cl-]3)P(C%13=CC=CC=C%13)(C%14=CC=CC=C%14)C%15=CC=C(OCO%16)C%16=C%15C%17=C(OCO%18)C%18=CC=C%17P1(C%19=CC=CC=C%19)C%20=CC=CC=C%20.[H+]
Synonyms	(R)-[(RUCL(SEGPHOS(R)))2(MU-CL)3][NH2ME2], (S)-[(RUCL(SEGPHOS(R)))2(MU-CL)3][NH2ME2], 346457-41-8, 488809-34-3, DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(R)-(+)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE]DIRUTHENATE(II), DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE]DIRUTHENATE(II), SC10193, (R)-[(Rucl(segphos))2(mu-cl)3][NH2Me2], (R)-[(RuCl(SEGPHOS®))2(|I-Cl)3][NH2Me2], (S)-[(RuCl(SEGPHOS®))2(|I-Cl)3][NH2Me2], [NH2ME2][[RUCL((R)-SEGPHOS(R))]2(MU-CL)3], [NH2ME2][[RUCL((S)-SEGPHOS(R))]2(MU-CL)3], Dimethylammonium dichlorotri(|I-chloro)bis[(R)-(+)-5,5 inverted exclamation marka-bis(diphenylphosphino)-4,4 inverted exclamation marka-bi-1,3-benzodioxole]diruthenate(II), Dimethylammonium dichlorotri(|I-chloro)bis[(S)-(-)-5,5 inverted exclamation marka-bis(diphenylphosphino)-4,4 inverted exclamation marka-bi-1,3-benzodioxole]diruthenate(II), Dimethylammonium dichlorotri(mu-chloro)bis[(S)-(-)-5,5'-bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole]diruthenate(II), [NH2Me2][{RuCl((S)-segphos)}2(mu-Cl)3], DIACETATO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II),

Complexity	800
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1652.033g/mol
Formal Charge	1
Heavy Atom Count	98
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	1649.678g/mol
Monoisotopic Mass	1648.035g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	85.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228
Packing Group	Ⅲ
Precautionary statements	P210
UN Code	UN 1325

Certificate of Analysis

Lot Number