1,2-Bis(diphenylphosphino)benzene

C₃₀H₂₄P₂CAS 13991-08-7446.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₀H₂₄P₂
Molar mass: 446.47 g/mol
Exact mass: 446.1353 Da
logP: 5.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

13991-08-7

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5

InChIKey

NFRYVRNCDXULEX-UHFFFAOYSA-N

InChI

InChI=1S/C30H24P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H

Weigh it out

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Work with 1,2-Bis(diphenylphosphino)benzene

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

2,2'-Bis(diphenylphosphino)-1,1'-biphenyl84783-64-274 % similar Triphenylphosphine603-35-069 % similar (2-Bromophenyl)diphenylphosphine62336-24-767 % similar 2-(Diphenylphosphino)-biphenyl13885-09-164 % similar Dpephos166330-10-564 % similar Tetrakis(triphenylphosphine)palladium14221-01-358 % similar Tetrakis(triphenylphosphine)platinum14221-02-458 % similar Hydrotetrakis(triphenylphosphine)rhodium18284-36-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Bis(diphenylphosphino)benzene1179-06-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook