diethyl(phenyl)phosphane

• ChemBase ID: 151185
• Molecular Formular: C10H15P
• Molecular Mass: 166.199861
• Monoisotopic Mass: 166.09113711
• SMILES: CCP(CC)c1ccccc1
• Canonical SMILES: CCP(c1ccccc1)CC
• InChI: InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: LVTCZSBUROAWTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(phenyl)phosphane
• IUPAC Traditional name: diethyl(phenyl)phosphane
• Synonyms: NSC 158475; Diethylphenylphosphine; 二乙基苯膦; 二乙基苯基膦

Database IDs

• CAS Number: 1605-53-4
• EC Number: 216-516-6
• MDL Number: MFCD00015172
• Beilstein Number: 742484
• PubChem SID: 162245342; 24863798
• PubChem CID: 74149

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4281027
• LogD (pH = 7.4): 2.845611
• Log P: 2.8582
• Molar Refractivity: 51.3681 cm^3
• Polarizability: 20.457067 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 120-121 °C/29 mmHg(lit.); 220°C
• Flash Point: 183.2 °F; 66°C(150°F); 84 °C
• Density: 0.954; 0.954 g/mL at 25 °C(lit.)
• Refractive Index: 1.5475; n20/D 1.546(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN3278
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22; 36/37/38
• Safety Statements: 17-26-36; 9-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H227
• GHS Precautionary statements: P210-P261-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 96%; 97%
• Grade: purum
• Linear Formula: (C2H5)2PC6H5

DETAILS

Sigma Aldrich - 381241

Packaging
1 g in ampule
Application
Catalyst for:
• Selective cross-dimerization1
• Diastereoselective condensations2
• Carboxyl migration reactions3
• Selective hydrogenation4
• Asymmetric induction by chiral diphosphines in ring contraction5

Sigma Aldrich - 32445

Application
Catalyst for:
• Selective cross-dimerization1
• Diastereoselective condensations2
• Carboxyl migration reactions3
• Selective hydrogenation4
• Asymmetric induction by chiral diphosphines in ring contraction5