(Ir[dF(CF3)ppy]2(dtbpy))PF6

About (Ir[dF(CF3)ppy]2(dtbpy))PF6

(Ir[dF(CF3)ppy]2(dtbpy))PF6 is a catalyst / ligand carrying the CAS registry number 870987-63-6. Formula C42H34F16IrN4P, molecular weight 1121.9 g/mol. Alternative names: [Ir{dF(CF3)ppy}2(dtbpy)]PF6.

The material typically appears as light yellow to dark yellow powder or crystals. Literature values give a melting point of above 300 °C. Keep the container tightly sealed and store it in a cool, dry area. It carries the GHS signal word “Warning” with 4 hazard statements. Review the Safety Data Sheet before use.

Key uses span cross-coupling reactions, homogeneous catalysis and asymmetric synthesis. Typical end-use sectors are academic and industrial research, pharmaceutical manufacturing and oil, gas and petrochemicals.

Standard pack sizes are 100 mg, 1 g, 5 g and 1 kg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Cross-coupling reactions
Homogeneous catalysis
Asymmetric synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	(Ir[dF(CF3)ppy]2(dtbpy))PF6
Catalogue No.	VQ-018544
CAS Number	870987-63-6
IUPAC name	4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);hexafluorophosphate
Molecular formula	C₄₂H₃₄F₁₆IrN₄P
Molecular weight	1121.9 g/mol
Exact mass	1122.1895
HSN code	29241900
InChIKey	XFAXYKCDJPDUTA-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
PubChem CID	53260182

Physical properties
Physical form	Crystalline
Appearance	Light yellow to dark yellow powder or crystals
Melting point	>300 °C
H-bond donors / acceptors	0 / 23
TPSA	51.6 Å²

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (Ir[dF(CF3)ppy]2(dtbpy))PF6?

The CAS Registry Number of (Ir[dF(CF3)ppy]2(dtbpy))PF6 is 870987-63-6. It is also known as [Ir{dF(CF3)ppy}2(dtbpy)]PF6.

What is the molecular formula and molecular weight of (Ir[dF(CF3)ppy]2(dtbpy))PF6?

(Ir[dF(CF3)ppy]2(dtbpy))PF6 has the molecular formula C42H34F16IrN4P and a molecular weight of 1121.9 g/mol.

Which grade and pack sizes of (Ir[dF(CF3)ppy]2(dtbpy))PF6 can I order?

We supply (Ir[dF(CF3)ppy]2(dtbpy))PF6, in 100 mg, 1 g, 5 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (Ir[dF(CF3)ppy]2(dtbpy))PF6?

Yes. Every lot of (Ir[dF(CF3)ppy]2(dtbpy))PF6 is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (Ir[dF(CF3)ppy]2(dtbpy))PF6 be shipped internationally?

Yes. (Ir[dF(CF3)ppy]2(dtbpy))PF6 is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.