Bis(diphenylphosphino)acetylene

C₂₆H₂₀P₂CAS 5112-95-8394.39 g/mol

Open in Covalent MOL file

Alkyne Phosphine

Properties

Molecular formula: C₂₆H₂₀P₂
Molar mass: 394.39 g/mol
Exact mass: 394.1040 Da
Melting point: 86 °C (decomposes)
logP: 5.17Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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

5112-95-8

SMILES

C(#CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1

InChIKey

FOWZHJNBFVLJGP-UHFFFAOYSA-N

InChI

InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H

Weigh it out

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

Names and synonyms

11 names

Phosphine, 1,1′-(1,2-ethynediyl)bis[1,1-diphenyl-
Phosphine, ethynylenebis[diphenyl-
Phosphine, 1,2-ethynediylbis[diphenyl-
1,1′-(1,2-Ethynediyl)bis[1,1-diphenylphosphine]
Bis(diphenylphosphino)ethyne
1,2-Bis(diphenylphosphino)acetylene
1,2-Bis(diphenylphosphino)ethyne
((Diphenylphosphino)ethynyl)diphenylphosphine
NSC 164872
2-Diphenylphosphanylethynyl(diphenyl)phosphane
Ethynylenebis(diphenylphosphine)

Work with Bis(diphenylphosphino)acetylene

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

Triphenylphosphine603-35-050 % similar 1,4-Bis(diphenylphosphino)benzene1179-06-247 % similar Chlorodiphenylphosphine1079-66-943 % similar 1,2-Bis(diphenylphosphino)benzene13991-08-743 % similar Tetrakis(triphenylphosphine)palladium14221-01-343 % similar Tetrakis(triphenylphosphine)platinum14221-02-443 % similar Methyldiphenylphosphine1486-28-843 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-243 % similar

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

Elsewhere

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