diethyl phenylphosphonite

• ChemBase ID: 150497
• Molecular Formular: C10H15O2P
• Molecular Mass: 198.198661
• Monoisotopic Mass: 198.08096635
• SMILES: CCOP(c1ccccc1)OCC
• Canonical SMILES: CCOP(c1ccccc1)OCC
• InChI: InChI=1S/C10H15O2P/c1-3-11-13(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: RVDJLKVICMLVJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl phenylphosphonite
• IUPAC Traditional name: diethyl phenylphosphonite
• Synonyms: Diethoxyphenylphosphine; Diethyl phenylphosphonite; Phenylphosphonous acid diethyl ester; 二乙氧基苯膦; 苯基膦酸二乙酯

Database IDs

• CAS Number: 1638-86-4
• EC Number: 216-676-7
• MDL Number: MFCD00009086
• Beilstein Number: 2804900
• PubChem SID: 162244658
• PubChem CID: 74225

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9706
• LogD (pH = 7.4): 2.9706
• Log P: 2.9706
• Molar Refractivity: 54.2653 cm^3
• Polarizability: 21.778162 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64°C/0.7mm
• Flash Point: >110°C(230°F); 113 °C; 235 °F
• Density: 1.032; 1.032 g/mL at 25 °C(lit.)
• Refractive Index: 1.5100; n20/D 1.51(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Linear Formula: C6H5P(OC2H5)2

DETAILS

Sigma Aldrich - 149462

Packaging
1 g in glass bottle