AG0029RL

199541-17-8 | Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]diruthenate(II)

AG0029RL

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CAS Number	199541-17-8
Catalog Number	AG0029RL(AGN-PC-0QQO9Z)
Chemical Name	Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]diruthenate(II)
IUPAC Name	[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI	InChI=1S/2C44H32P2.C2H7N.5ClH.2Ru/c2*1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-3-2;;;;;;;/h2*1-32H;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1
InChI Key	NVDGOPZSESFSJS-UHFFFAOYSA-M
MDL Number	MFCD09753033
Molecular Formula	C90H75Cl5NP4Ru2
Molecular Weight	1674.8732
SMILES	CNC.[Cl-][Ru+2]12([Cl-][Ru+2]34([Cl-])(P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=C(C8=C(C=CC=C8)C=C7)C9=C(C=CC%10=C9C=CC=C%10)P4(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=C(C%16=C(C=CC=C%16)C=C%15)C%17=C(C=CC%18=C%17C=CC=C%18)P1(C%19=CC=CC=C%19)C%20=CC=CC=C%20.[H+]
Synonyms	(S)-[(RUCL(BINAP))2(MU-CL)3][NH2ME2], 199684-47-4, [NH2ME2][[RUCL((R)-BINAP)]2(MU-CL)3], [NH2ME2][[RUCL((S)-BINAP)]2(MU-CL)3], 199541-17-8, DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]DIRUTHENATE(II), DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(S)-(-)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]DIRUTHENATE(II), SC10176, (R)-[(RuCl(BINAP))2(mu-Cl)3[NH2Me2], (R)-[(RuCl(BINAP))2(|I-Cl)3[NH2Me2], (R)-[(RuCl(BINAP))2(?-Cl)3][NH2Me2], (S)-[(RuCl(BINAP))2(?-Cl)3][NH2Me2], (S)-[(RuCl(BINAP))2(|I-Cl)3][NH2Me2], (R)-[(RUCL(BINAP))2(MU-CL)3[NH2ME2]], J-012887, J-012903, Dimethylammonium dichlorotri(|I-chloro)bis[(R)-(+)-2,2 inverted exclamation marka-bis(diphenylphosphino)-1,1 inverted exclamation marka-binaphthyl]diruthenate(II), Dimethylammonium dichlorotri(|I-chloro)bis[(S)-(-)-2,2 inverted exclamation marka-bis(diphenylphosphino)-1,1 inverted exclamation marka-binaphthyl]diruthenate(II), Dimethylammonium dichlorotri(mu-chloro)bis[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]diruthenate(II), ?[NH2Me2][{RuCl((R)-binap)}2(mu-Cl)3],

Complexity	809
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1676.136g/mol
Formal Charge	1
Heavy Atom Count	102
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	1673.882g/mol
Monoisotopic Mass	1672.138g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H373
Packing Group	Ⅲ
Precautionary statements	P501-P260-P314
UN Code	UN 1325

Certificate of Analysis

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