Einecs 241-051-0
Basic information
- CAS
16971-33-8- Standard SMILES
[C-]#[O+].[Cl-].[H-].[Ru+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1- InChIKey
AQNNBONKVCJJDU-UHFFFAOYSA-M- Molecular formula
- C55H46ClOP3Ru
- Average molar mass
- 952.4 g/mol
- Monoisotopic mass
- 952.149345
Names & identifiers
- Preferred name
- Einecs 241-051-0
- IUPAC
- carbon monoxide;hydride;ruthenium(2+);tris(triphenylphosphane);chloride
- English name
- Carbonylchlorohydrotris(triphenylphosphine)ruthenium
- Molecular formula
- C55H45ClOP3Ru
- Molecular weight
- 951.39
Names & synonyms
EINECS 241-051-0RuHCl(CO)(PPh3)3Carbonylchlorohydridotris(triphenylphosphine)rutheniumRu(CO)ClH(PPh3)3CARBONYLCHLOROHYDRIDOTRIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)mer-RuH(PPh3)3(CO)ClCarbonylchlorohydridotriscarbonylchlorohydridotris(triphenyl-phosphine)rutCarbonylchlorohydrido tris (triphenylphosphine) rucarbonylchlorohydrotris(triphenylphosphine)rutheniumCarbonylchlorohydrotris(triphen-ylphosphineruthenium(Ⅱ)
Database identifiers
- CAS
16971-33-8- PubChem CID
- 86892
Properties
Computed structural properties
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 204 · 204-206 °C (dec.)(lit.)
- Boiling point
- 360 ℃ · approximate 360℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Powder
- color
- Cream to tan
- Water Solubility
- insoluble
- Sensitive
- Air stable, light sensitive
- InChI
- InChI=1S/3C18H15P.CO.ClH.Ru/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;;1H;/q;;;;;+1/p-1
- InChIKey
- MVJRXTSUBHUUPN-UHFFFAOYSA-M
- SMILES
- P(C1=CC=CC=C1)(C1=CC=CC=C1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.Cl[Ru].[O+]#[C-]
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29310099
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T
- safety_code
- 26-37/39-36/37/39-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesCarbonylchlorohydridotris(triphenylphosphine)ruthenium(II) is used as a raw material to synthesize other ru-hydride catalysts. It is involved in the hydrogenation of ring-opening metathesis polymers such as norbornene and other cyclic olefin ROMP polymers used as plastics, resins and optical materials. It can act as an alternative catalyst to rhodium hydrogenation catalyst. It also serves as a catalyst in the hydrogenation of conjugated diene copolymers like acrylonitrile-butadiene rubber (NBR).
Related reactions
3 records
Compound notes
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