diethoxyphosphinous acid

• ChemBase ID: 303734
• Molecular Formular: C4H11O3P
• Molecular Mass: 138.102101
• Monoisotopic Mass: 138.04458084
• SMILES: CCOP(O)OCC
• Canonical SMILES: CCOP(OCC)O
• InChI: InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h5H,3-4H2,1-2H3
• InChIKey: SULWMEGSVQCTSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxyphosphinous acid
• IUPAC Traditional name: diethoxyphosphinous acid
• Synonyms: Diethyl phosphite; 亚磷酸二乙酯

Database IDs

• CAS Number: 762-04-9
• EC Number: 212-091-6
• MDL Number: MFCD00044573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8629999
• LogD (pH = 7.4): 0.863
• Log P: 0.863
• Molar Refractivity: 32.9916 cm^3
• Polarizability: 12.919546 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.314395

PROPERTIES

Physical Property

• Apperance: Liquid; Liquid, Packaged under argon
• Melting Point: -70°C
• Boiling Point: 50-51°C/2mm
• Flash Point: 74°C(165°F)
• Density: 1.070

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: TG7875000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 38-41-43
• Safety Statements: 24-26-37/39; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H317-H227-H303-H313
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 96%; 97+%