Tris[2-(benzo[b]thiophen-2-yl)pyridinato-C3,N]iridium(III) CAS #: 405289-74-9

Synonyms Tris[2-(2-pyridyl)benzothiophen-3-yl]iridium; fac-Tris[2-pyridinato-C3,N]iridium; fac-Ir(btpy)3, Tris(2-(benzo[b]thiophen-2-yl)pyridineiridium(III)

Compound Formula: C39H24IrN3S3 Molecular Weight: 823.04 Appearance: Orange to red powder Melting Point: >300 °C Boiling Point: N/A Density: N/A Solubility in H2O: N/A Exact Mass: 823.076162 Monoisotopic Mass: 823.076162 Absorption: λmax292, 366, 408 nm in THF Fluorescence: λem596, 645 nm in THF

Health & Safety Information Signal Word: Warning Hazard Statements: H315-H319-H335 Hazard Codes: Xi Risk Codes: 36/37/38 Safety Statements: 26 RTECS Number: N/A Transport Information: N/A WGK Germany: 3

Chemical Identifiers Linear Formula: Ir(C13H8NS)3 Pubchem CID: 71306700 MDL Number: MFCD09842732 EC No.: N/A IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3+) SMILES: C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir+3] InchI Identifier: InChI=1S/3C13H8NS.Ir/c3*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;/h3*1-8H;/q3*-1;+3 InchI Key: USGICQHVMVTCCE-UHFFFAOYSA-N