1,4-Bis(diphenylphosphino)butane

C₂₈H₂₈P₂CAS 7688-25-7426.48 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₂₈H₂₈P₂
Molar mass: 426.48 g/mol
Exact mass: 426.1666 Da
Melting point: 135–136 °C
logP: 6.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed20.3% of notifiers
H315 Causes skin irritation98.6% of notifiers
H317 May cause an allergic skin reaction20.3% of notifiers
H319 Causes serious eye irritation98.6% of notifiers
H335 May cause respiratory irritation39.1% of notifiers
H400 Very toxic to aquatic life20.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects23.2% of notifiers
H413 May cause long lasting harmful effects to aquatic life56.5% of notifiers

Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

7688-25-7

SMILES

c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

InChIKey

BCJVBDBJSMFBRW-UHFFFAOYSA-N

InChI

InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2

Weigh it out

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

Names and synonyms

11 names

Phosphine, 1,1′-(1,4-butanediyl)bis[1,1-diphenyl-
Phosphine, tetramethylenebis[diphenyl-
Phosphine, 1,4-butanediylbis[diphenyl-
1,1′-(1,4-Butanediyl)bis[1,1-diphenylphosphine]
Tetramethylenebis(diphenylphosphine)
1,4-Butanediylbis[diphenylphosphine]
1,4-Butylenebis(diphenylphosphine)
DPPB (catalyst precursor)
DPPB
1,4-Bis(diphenylphosphanyl)butane
[4-(Diphenylphosphanyl)butyl]diphenylphosphane

Work with 1,4-Bis(diphenylphosphino)butane

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.

1,4-Bis(diphenylphosphino)butane-palladium(II) chloride29964-62-3Salt

Similar compounds

1,6-Bis(diphenylphosphino)hexane19845-69-394 % similar 1,5-Bis(diphenylphosphino)pentane27721-02-494 % similar 1,3-Bis(diphenylphosphino)propane6737-42-489 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-278 % similar Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel15629-92-267 % similar Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-267 % similar (1,3-Bis(diphenylphosphino)propane)palladium(II) chloride59831-02-667 % similar Bis(diphenylphosphinoethyl)phenylphosphine23582-02-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chiraphos64896-28-2

Elsewhere

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