phenylbis(prop-2-en-1-yl)phosphane

• ChemBase ID: 137497
• Molecular Formular: C12H15P
• Molecular Mass: 190.221261
• Monoisotopic Mass: 190.09113711
• SMILES: C=CCP(CC=C)c1ccccc1
• Canonical SMILES: C=CCP(c1ccccc1)CC=C
• InChI: InChI=1S/C12H15P/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
• InChIKey: NDIFDGDMWAZLDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylbis(prop-2-en-1-yl)phosphane
• IUPAC Traditional name: phenylbis(prop-2-en-1-yl)phosphane
• Synonyms: Phenyldi-(2-phenyldiallyl)phosphine; Diallylphenylphosphine; 苯基二-(2-苯基二烯丙基)膦; 二烯丙基苯磷化氢

Database IDs

• CAS Number: 29949-75-5
• MDL Number: MFCD00014955
• PubChem SID: 24860437; 162231759
• PubChem CID: 2733416

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5891814
• LogD (pH = 7.4): 3.653494
• Log P: 3.6544
• Molar Refractivity: 60.1963 cm^3
• Polarizability: 23.68926 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127 °C/14 mmHg(lit.)
• Density: 0.969 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.568(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17
• Safety Statements: 16-26-27-28-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H250
• GHS Precautionary statements: P222-P231-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: 95%
• Linear Formula: C6H5P(CH2CH=CH2)2

DETAILS

Sigma Aldrich - 336882

Packaging
2, 10 g in ampule