ethyl phenylphosphinate

• ChemBase ID: 147633
• Molecular Formular: C8H11O2P
• Molecular Mass: 170.145501
• Monoisotopic Mass: 170.04966622
• SMILES: CCOP(=O)c1ccccc1
• Canonical SMILES: CCOP(=O)c1ccccc1
• InChI: InChI=1S/C8H11O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3
• InChIKey: UNUJZVUJPIOMGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl phenylphosphinate
• IUPAC Traditional name: ethyl phenylphosphinate
• Synonyms: Ethyl phenylphosphinate; 苯基亚膦酸乙酯

Database IDs

• CAS Number: 2511-09-3
• MDL Number: MFCD11505905
• PubChem SID: 24866017; 162241820
• PubChem CID: 6328020

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.759
• LogD (pH = 7.4): 1.759
• Log P: 1.759
• Molar Refractivity: 44.7127 cm^3
• Polarizability: 17.955711 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94-95 °C/1 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.129 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.526(lit.)

Safety Information

• RTECS: SZ5600000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 94%
• Linear Formula: C6H5P(O)H(OC2H5)

DETAILS

Sigma Aldrich - 415642

Packaging
5, 25 mL in glass bottle