Dichlorobis(di-tert-butylphenylphosphine)palladium(II)

C₂₈H₄₆Cl₂P₂PdCAS 34409-44-4621.94 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₈H₄₆Cl₂P₂Pd
Molar mass: 621.94 g/mol
Exact mass: 620.1487 Da
logP: 10.16Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid34.3% of notifiers
H290 May be corrosive to metals34.3% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled32.8% of notifiers
H302 Harmful if swallowed34.3% of notifiers
H312 Harmful in contact with skin34.3% of notifiers
H315 Causes skin irritation98.5% of notifiers
H319 Causes serious eye irritation98.5% of notifiers
H332 Harmful if inhaled34.3% of notifiers
H335 May cause respiratory irritation98.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life34.3% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P240, P241, 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, P370+P378, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

34409-44-4

SMILES

CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.Cl[Pd]Cl

InChIKey

QNNRAWADYXIGHE-UHFFFAOYSA-L

InChI

InChI=1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2

Weigh it out

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

Work with Dichlorobis(di-tert-butylphenylphosphine)palladium(II)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Di-tert-butylphenylphosphine32673-25-9Parent compound Di-tert-butylphenylphosphonium tetrafluoroborate612088-55-8Salt

Similar compounds

Bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium887919-35-963 % similar [1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II)19978-61-150 % similar tert-Butyldiphenylphosphine6002-34-250 % similar 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride29964-62-347 % similar (1,3-Bis(diphenylphosphino)propane)palladium(II) chloride59831-02-647 % similar (4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine932710-63-947 % similar 2-(Di-tert-butylphosphino)biphenyl224311-51-741 % similar ((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride115826-95-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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