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Ruthenium,dichlorotris(triphenylphosphine)-(CAS No. 15529-49-4)

Ruthenium,dichlorotris(triphenylphosphine)- C54H45Cl2P3Ru (cas 15529-49-4) Molecular Structure

15529-49-4 Structure

Identification and Related Records

【Name】
Ruthenium,dichlorotris(triphenylphosphine)-
【Iupac name】
ruthenium(2+); triphenylphosphane; dichloride
【CAS Registry number】
15529-49-4
【Synonyms】
Dichlorotris(triphenylphosphine)ruthenium
Ruthenium tris(triphenylphosphine) dichloride
Tris(triphenylphosphine)dichlororuthenium
Tris(triphenylphosphine)ruthenium dichloride
Tris(triphenylphosphine)ruthenium(II) dichloride
【EINECS(EC#)】
239-569-7
【Molecular Formula】
C54H45Cl2P3Ru (Products with the same molecular formula)
【Molecular Weight】
958.84
【Inchi】
InChI=1/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2
【Canonical SMILES】
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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Ru+2]
【MOL File】
15529-49-4.mol

Chemical and Physical Properties

【Appearance】
black powder
【Density】
g/cm3
【Melting Point】
159℃
【Boiling Point】
360 °C at 760 mmHg
【Vapour】
4.74E-05mmHg at 25°C
【Flash Point】
181.7 °C
【Water】
insoluble
【Solubilities】
Insoluble in water
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:958.832383 [g/mol]
Molecular Formula:C54H45Cl2P3Ru
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:958.115466
MonoIsotopic Mass:958.115466
Topological Polar Surface Area:0
Heavy Atom Count:60
Formal Charge:0
Complexity:202
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:6

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R20/21
【Safety Statements 】
S22
【Sensitive】
Air & Moisture Sensitive

Supplier Location

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