1,3-Bis(diphenylphosphino)propane

C₂₇H₂₆P₂CAS 6737-42-4412.45 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₂₇H₂₆P₂
Molar mass: 412.45 g/mol
Exact mass: 412.1510 Da
Melting point: 61–62 °C
logP: 5.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed64.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction64.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation99.3% of notifiers
H400 Very toxic to aquatic life64.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects65.4% of notifiers

Aggregated from 153 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

6737-42-4

SMILES

c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

InChIKey

LVEYOSJUKRVCCF-UHFFFAOYSA-N

InChI

InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2

Weigh it out

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

Names and synonyms

14 names · show all

Phosphine, 1,1′-(1,3-propanediyl)bis[1,1-diphenyl-
Phosphine, trimethylenebis[diphenyl-
Phosphine, 1,3-propanediylbis[diphenyl-
1,1′-(1,3-Propanediyl)bis[1,1-diphenylphosphine]
1,3-Propanediylbis[diphenylphosphine]
Trimethylenebis(diphenylphosphine)
1,3-DPPP
1,3-Bis(diphenylphosphine)propane
1,3-Propylenebis(diphenylphosphine)
DPPP
DPPP (phosphine derivative)
NSC 193753
1,3-Bis(diphenylphosphanyl)propane
3-Diphenylphosphanylpropyldiphenylphosphane

Work with 1,3-Bis(diphenylphosphino)propane

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.

(1,3-Bis(diphenylphosphino)propane)palladium(II) chloride59831-02-6Salt

Similar compounds

1,4-Bis(diphenylphosphino)butane7688-25-789 % similar 1,6-Bis(diphenylphosphino)hexane19845-69-384 % similar 1,5-Bis(diphenylphosphino)pentane27721-02-484 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-278 % similar Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel15629-92-274 % similar 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride29964-62-367 % similar Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-267 % similar Bis(diphenylphosphinoethyl)phenylphosphine23582-02-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1'-((1R)-1-Methyl-1,2-ethanediyl)bis(diphenylphosphine)67884-32-6

Elsewhere

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