(R)-(+)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl

C₄₈H₄₀P₂CAS 99646-28-3678.80 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₄₈H₄₀P₂
Molar mass: 678.80 g/mol
Exact mass: 678.2605 Da
logP: 10.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

99646-28-3

SMILES

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C

InChIKey

IOPQYDKQISFMJI-UHFFFAOYSA-N

InChI

InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3

Weigh it out

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

Names and synonyms

1 names

(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl

Work with (R)-(+)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl

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.

(S)-(-)-2,2'-Bis(di-P-tolylphosphino)-1,1'-binaphthyl100165-88-6

Similar compounds

(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl135139-00-374 % similar (R)-Dm-binap137219-86-474 % similar Binap76189-55-471 % similar (-)-BINAP76189-56-571 % similar BINAP98327-87-871 % similar (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalenechloro(P-cymene)ruthenium chloride130004-33-066 % similar (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalenechloro(P-cymene)ruthenium chloride145926-28-966 % similar ((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride115826-95-459 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook