diethyl phenylphosphonate

• ChemBase ID: 302142
• Molecular Formular: C10H15O3P
• Molecular Mass: 214.198061
• Monoisotopic Mass: 214.07588097
• SMILES: CCOP(=O)(c1ccccc1)OCC
• Canonical SMILES: CCOP(=O)(c1ccccc1)OCC
• InChI: InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: VZEGPPPCKHRYGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl phenylphosphonate
• IUPAC Traditional name: diethyl phenylphosphonate
• Synonyms: Phenylphosphonic acid diethyl ester; Diethyl phenylphosphonate; 苯基膦酸二乙酯

Database IDs

• CAS Number: 1754-49-0
• MDL Number: MFCD00015136
• Beilstein Number: 2449931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6192
• LogD (pH = 7.4): 2.6192
• Log P: 2.6192
• Molar Refractivity: 55.7082 cm^3
• Polarizability: 22.334991 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 267°C
• Flash Point: >110°C(230°F)
• Density: 1.120
• Refractive Index: 1.4940

Safety Information

• RTECS: TA0377000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 97%