diethenyl(phenyl)phosphane

• ChemBase ID: 149209
• Molecular Formular: C10H11P
• Molecular Mass: 162.168101
• Monoisotopic Mass: 162.05983698
• SMILES: C=CP(C=C)c1ccccc1
• Canonical SMILES: C=CP(c1ccccc1)C=C
• InChI: InChI=1S/C10H11P/c1-3-11(4-2)10-8-6-5-7-9-10/h3-9H,1-2H2
• InChIKey: GEKAWPIATFUQJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethenyl(phenyl)phosphane
• IUPAC Traditional name: diethenyl(phenyl)phosphane
• Synonyms: Divinylphenylphosphine; 二乙烯基苯基膦

Database IDs

• CAS Number: 26681-88-9
• EC Number: 247-900-1
• MDL Number: MFCD00048142
• PubChem SID: 162243377; 24871649
• PubChem CID: 117840

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9643779
• LogD (pH = 7.4): 2.9643998
• Log P: 2.9644
• Molar Refractivity: 49.6389 cm^3
• Polarizability: 19.991024 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55 °C/0.05 mmHg(lit.)
• Flash Point: 210.2 °F; 99 °C
• Density: 0.979 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.582(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Linear Formula: C6H5P(CH=CH2)2

DETAILS

Sigma Aldrich - 479799

Packaging
5 g in ampule
Application
Reactant for:
• Synthesis of P-chiral phosphines via chiral metal template promoted asymmetric furan Diels-Alder reaction1