Carbonylchlorohydrotris(triphenylphosphine)ruthenium

C₅₅H₄₆ClOP₃RuCAS 16971-33-8952.41 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₅₅H₄₆ClOP₃Ru
Molar mass: 952.41 g/mol
Exact mass: 952.1493 Da
Melting point: 142 °C
logP: 7.41Crippen estimate
Polar surface area: 19.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled87.2% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16971-33-8

SMILES

[C-]#[O+].[Cl-].[H].[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

InChIKey

ZVENKBGRIGHMRG-UHFFFAOYSA-M

InChI

InChI=1S/3C18H15P.CO.ClH.Ru.H/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Ruthenium, carbonylchlorohydrotris(triphenylphosphine)-
Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)
Chlorohydridocarbonyltris(triphenylphosphine) ruthenium

Work with Carbonylchlorohydrotris(triphenylphosphine)ruthenium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dicarbonyldichlorobis(triphenylphosphine)ruthenium14564-35-381 % similar Bis(triphenylphosphine)rhodium carbonyl chloride13938-94-878 % similar Vaska's complex14871-41-178 % similar Tris(triphenylphosphine)rhodium carbonyl hydride17185-29-467 % similar Bis(triphenylphosphine)palladium chloride13965-03-262 % similar Dichlorotris(triphenylphosphine)ruthenium(II)15529-49-458 % similar Chloro(triphenylphosphine)gold(I)14243-64-256 % similar Bis(triphenylphosphine)nickel dichloride14264-16-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook