C101 Dye
CAS #: 1224601-35-7
Product Code : E-N-A337-CU-CU
CAS #: 1224601-35-7
Linear Formula: C44H44N6O4RuS4
MDL Number: N/A
EC No.: 806-199-8
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Synonyms
cis-Bis(isothiocyanato)(2,2′-bipyridyl-4,4′-dicarboxylato)(4,4′-bis(5-hexylthiophen-2-yl)-2,2′-bipyridyl)ruthenium(II), Ruthenate(2−), [[2,2′-bipyridine]-4,4′-dicarboxylato(2−)-N1,N1′][4,4′-bis(5-hexyl-2-thienyl)-2,2′-bipyridine-N1,N1′]bis(thiocyanato-N)-, hydrogen (1:2)
Compound Formula: C44H44N6O4RuS4
Molecular Weight: 950.2
Appearance: Dark maroon to black powder
Melting Point: 196 °C
Boiling Point: N/A
Density: N/A
Solubility in H2O: Insoluble
Exact Mass: 950.135029 g/mol
Monoisotopic Mass: 950.135029 g/mol
Health & Safety Information
Signal Word: Warning
Hazard Statements: H315-H317-H319
Hazard Codes: Xi
Precautionary Statements: P280-P305+P351+P338
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: C44H44N6O4RuS4
Pubchem CID: 124202875
MDL Number: N/A
EC No.: 806-199-8
IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid;4-(5-hexylthiophen-2-yl)-2-[4-(5-hexylthiophen-2-yl)pyridin-2-yl]pyridine; ruthenium(2+); diisothiocyanate
SMILES: CCCCCCC1=CC=C(S1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=C(S4)CCCCCC.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/C30H36N2S2.C12H8N2O4.2CNS.Ru/c1-3-5-7-9-11-25-13-15-29(33-25)23-17-19-31-27(21-23)28-22-24(18-20-32-28)30-16-14-26(34-30)12-10-8-6-4-2;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h13-22H,3-12H2,1-2H3;1-6H,(H,15,16)(H,17,18);;;/q;;2
InchI Key: BXXRBPUFQSDMHJ-UHFFFAOYSA-N