((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride

C₄₄H₃₂Cl₂P₂PdCAS 127593-28-6800.01 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₄₄H₃₂Cl₂P₂Pd
Molar mass: 800.01 g/mol
Exact mass: 798.0391 Da
logP: 10.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H312 Harmful in contact with skin90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled90.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 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

127593-28-6

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Pd]Cl

InChIKey

VDHAUMFISVWIRX-UHFFFAOYSA-L

InChI

InChI=1S/C44H32P2.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2

Weigh it out

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Names and synonyms

1 names

[(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) chloride

Work with ((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride

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.

Binap76189-55-4Parent compound (-)-BINAP76189-56-5Parent compound BINAP98327-87-8Parent compound Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium (II)134524-84-8Salt Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium (II)132071-87-5Salt ((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride115826-95-4

Similar compounds

(R)-2-Diphenyphosphino-2'-hydroxyl-1,1'-binaphthyl149917-88-465 % similar (2'-Methoxy-1,1'-binaphthalen-2-yl)(diphenyl)phosphine134484-36-960 % similar (R)-Mop145964-33-660 % similar (S)-(-)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl100165-88-659 % similar (R)-(+)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl99646-28-359 % similar (R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl135139-00-354 % similar (R)-Dm-binap137219-86-454 % similar Diacetato[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II)261948-85-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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