diethylphosphane

• ChemBase ID: 136322
• Molecular Formular: C4H11P
• Molecular Mass: 90.103901
• Monoisotopic Mass: 90.05983698
• SMILES: CCPCC
• Canonical SMILES: CCPCC
• InChI: InChI=1S/C4H11P/c1-3-5-4-2/h5H,3-4H2,1-2H3
• InChIKey: VZZJVOCVAZHETD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylphosphane
• IUPAC Traditional name: diethylphosphane
• Synonyms: Diethylphosphine

Database IDs

• CAS Number: 627-49-6
• MDL Number: MFCD00015169
• PubChem SID: 162230592
• PubChem CID: 82948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9251213
• LogD (pH = 7.4): 0.92993814
• Log P: 0.93
• Molar Refractivity: 26.6938 cm^3
• Polarizability: 10.820552 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.782 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 1
• Risk Statements: 17-20/21/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H302-H312-H314-H332
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C4H11P

DETAILS

Sigma Aldrich - 731366

Packaging
1, 5 g in glass bottle