Description

Carbonylchlorobis(triphenylphosphine)rhodium(I), trans- (CAS No. 13938-94-8) is a highly specialized organometallic compound with the molecular formula C₃₇H₃₀ClOP₂Rh. This air-stable, crystalline complex features a rhodium(I) center coordinated to a carbonyl ligand, a chloride, and two triphenylphosphine (PPh₃) groups in a trans configuration. Widely recognized for its catalytic properties, this compound is a valuable precursor in homogeneous catalysis, particularly in hydrogenation, hydroformylation, and carbonylation reactions. Its high purity and well-defined structure make it ideal for research in organometallic chemistry, asymmetric synthesis, and industrial catalytic processes. Packaged under inert conditions to ensure stability, this product is suited for laboratory and pilot-scale applications.

Properties

• CAS Number: 13938-94-8
• Complexity: 212
• IUPAC Name: carbon monoxide;rhodium;triphenylphosphane;chloride
• InChI: InChI=1S/2C18H15P.CO.ClH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/p-1
• InChI Key: RMJBMLFXJWHQJH-UHFFFAOYSA-M
• Exact Mass: 690.05154
• Molecular Formula: C37H30ClOP2Rh-
• Molecular Weight: 690.9
• SMILES: [C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
• Topological: 1
• Monoisotopic Mass: 690.05154
• Physical Description: Yellow crystals;
• Synonyms: Carbonylchlorobis(triphenylphosphine)rhodium, 13938-94-8, trans-RhCl(CO)(PPh3)2, 100LRS254G, DTXSID501336350, NSC-168792, trans-bis(triphenylphosphine)rhodiumcarbonyl chloride, trans-Carbonylchlorobis(triphenylphosphine)rhodium(I), (SP-4-3)-Carbonylchlorobis(triphenylphosphine)rhodium, TRANS-CARBONYLBIS(TRIPHENYLPHOSPHINE)CHLORORHODIUM(I), TRANS-CHLOROCARBONYLBIS(TRIPHENYLPHOSPHINE)RHODIUM(I), TRANS-RHODIUM CARBONYL BIS(TRIPHENYLPHOSPHINE) CHLORIDE, TRANS-CARBONYLCHLOROBIS(TRIPHENYLPHOSPHINE)RHODIUM(I) [MI], TRANS-CARBONYLCHLOROBIS(TRIPHENYLPHOSP+HINE)RHODIUM(I) [MI], Carbonylchlorobis(triphenylphosphine)rhodium(I), trans-, EINECS 237-712-8, DTXCID701766531, NSC 168792, TRANS-CARBONYLCHLOROBIS(TRIPHENYLPHOSP+HINE)RHODIUM(I), 237-712-8, cis-RhCl(CO)(PPH3)2, UNII-84NQM9263V, Carbonylchlorobis(triphenylphosphine)rhodium(I), cis-, 84NQM9263V, cis-Rhodium carbonyl bis(triphenylphosphine) chloride, Rhodium, carbonylchlorobis(triphenylphosphine)-, cis-, 16353-77-8, Rhodium, carbonylchlorobis(triphenylphosphine)-, (sp-4-2)-, trans-Carbonylchlorobis(triphenylphosphine)rhodium(I) cis-form [MI], SGULOPRLUCGLSH-UHFFFAOYSA-M, AKOS015916274, AKOS015964110

Application

This rhodium(I) complex is extensively used as a catalyst in hydrogenation reactions, particularly for converting alkenes to alkanes under mild conditions. It also serves as a key precursor in hydroformylation processes, enabling the production of aldehydes from olefins. Additionally, researchers employ it in carbon-carbon bond-forming reactions, such as Heck and Suzuki couplings, due to its efficient oxidative addition properties.

Safety and Hazards

GHS Hazard Statements

• H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H413 (14.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (71.4%)
• Skin Irrit. 2 (28.6%)
• Eye Irrit. 2 (28.6%)
• STOT SE 3 (14.3%)
• Aquatic Chronic 4 (14.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.