methanidylidyneoxidanium tris(triphenylphosphane) λ1-rhodium

• ChemBase ID: 148723
• Molecular Formular: C55H45OP3Rh
• Molecular Mass: 917.771983
• Monoisotopic Mass: 917.17382995
• SMILES: [C-]#[O+].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O+]#[C-].[Rh]
• InChI: InChI=1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H
• InChIKey: IETKMTGYQIVLRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanidylidyneoxidanium tris(triphenylphosphane) λ^1-rhodium
• IUPAC Traditional name: carbon monoxide tris(triphenylphosphine) λ^1-rhodium
• Synonyms: Carbonyltris(triphenylphosphine)rhodium(I) hydride; RhH(CO)(PPh3)3; Rhodium monocarbonyl hydrogen tris(triphenylphosphine); Tris(triphenylphosphine)carbonylrhodium hydride; trans-Carbonyl(hydrido)tris(triphenylphosphine)rhodium; Hydridocarbonyl-tris(triphenylphosphine)-rhodium(I); Rhodium(I) tris(triphenylphosphine) carbonyl hydride; Tris(triphenylphosphine)rhodium(I) carbonyl hydride; 羰基氢化三(三苯基磷)铑(I); 羰酰二氢三(三苯基膦)铑(I); 三(三苯基膦)羰基氢化铑

Database IDs

• CAS Number: 17185-29-4
• EC Number: 241-230-3
• MDL Number: MFCD00151644
• PubChem SID: 162242898; 24853512
• PubChem CID: 10941995

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 150 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25
• Safety Statements: 36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331; H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Grade: purum
• Linear Formula: [(C6H5)3P]3Rh(CO)H

DETAILS

Sigma Aldrich - 225665

Application
Catalyzes the ring-opening isomeriztion of methylenecyclopropanes to 1,3-dienes.1
Packaging
5 g in glass bottle
500 mg in glass bottle
Features and Benefits
Homogeneous catalyst.