Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2′-bipyridyl-4,4′-dicarboxylato)ruthenium(II)
CAS #: 207347-46-4
Product Code : E-N-A437-CU-CU
CAS #: 207347-46-4
Linear Formula: C58H86N8O8RuS2
MDL Number: MFCD11042475
EC No.: 633-801-4
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Synonyms
N-719 dye, N719 dye, Bis(tetrabutylammonium) Dihydrogen Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 1-Butanaminium, N,N,N-tributyl-, hydrogen (OC-6-21)-bis[[2,2'-bipyridine]-4,4'-dicarboxylato(2-)-kN1,kN1']bis(thiocyanato-kN)ruthenate(4-) (2:2:1)
Compound Formula: C58H86N8O8RuS2
Molecular Weight: 1188.6
Appearance: Dark brown to black powder
Melting Point: 250-260 °C °C
Boiling Point: N/A
Density: N/A
Solubility in H2O: N/A
Exact Mass: 1188.505344 g/mol
Monoisotopic Mass: 1188.505344 g/mol
Health & Safety Information
Signal Word: Danger
Hazard Statements: H334
Hazard Codes: Xn
Precautionary Statements: P261-P342+P311
Risk Codes: N/A
Safety Statements: N/A
Transport Information: NONH for all modes of transport
WGK Germany: 3
GHS Pictogram: Image
Chemical Identifiers
Linear Formula: C58H86N8O8RuS2
Pubchem CID: 71310680
MDL Number: MFCD11042475
EC No.: 633-801-4
IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); tetrabutylazanium; diisothiocyanate
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)[O-].C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)[O-].C(=[N-])=S.C(=[N-])=S.[Ru+2]
InchI Identifier: InChI=1S/2C16H36N.2C12H8N2O4.2CNS.Ru/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h2*5-16H2,1-4H3;2*1-6H,(H,15,16)(H,17,18);;;/q2*+1;;;2*-1;+2/p-2
InchI Key: MQGCPZMVNHGIPF-UHFFFAOYSA-L