bis(propan-2-yloxy)phosphinous acid

• ChemBase ID: 293764
• Molecular Formular: C6H15O3P
• Molecular Mass: 166.155261
• Monoisotopic Mass: 166.07588097
• SMILES: OP(OC(C)C)OC(C)C
• Canonical SMILES: CC(OP(OC(C)C)O)C
• InChI: InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3
• InChIKey: NFORZJQPTUSMRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yloxy)phosphinous acid
• IUPAC Traditional name: diisopropoxyphosphinous acid
• Synonyms: Diisopropyl hydrogen phosphite; Phosphorous acid diisopropyl ester; Diisopropyl phosphonate; Diisopropyl phosphite; 亚磷酸二异丙酯

Database IDs

• CAS Number: 1809-20-7
• EC Number: 217-317-7
• MDL Number: MFCD00117905
• PubChem SID: 180679295
• PubChem CID: 558181

CALCULATED PROPERTIES

• Acid pKa: 15.306917
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6891994
• LogD (pH = 7.4): 1.6892
• Log P: 1.6892
• Molar Refractivity: 41.8292 cm^3
• Polarizability: 16.561974 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72-75°C/10mm
• Flash Point: 112°C(234°F)
• Density: 0.990
• Refractive Index: 1.4075

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: SZ7660000
• European Hazard Symbols: X
• Risk Statements: 20/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95+%; 98%