bis(tert-butoxy)phosphinous acid

• ChemBase ID: 303126
• Molecular Formular: C8H19O3P
• Molecular Mass: 194.208421
• Monoisotopic Mass: 194.1071811
• SMILES: CC(C)(C)OP(O)OC(C)(C)C
• Canonical SMILES: OP(OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C8H19O3P/c1-7(2,3)10-12(9)11-8(4,5)6/h9H,1-6H3
• InChIKey: RRJHOMPUEYYASJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tert-butoxy)phosphinous acid
• IUPAC Traditional name: bis(tert-butoxy)phosphinous acid
• Synonyms: Phosphorous acid di-tert-butyl ester; Di-tert-butyl phosphite; 亚磷酸二叔丁酯

Database IDs

• CAS Number: 13086-84-5
• EC Number: 235-996-8
• MDL Number: MFCD00014999

CALCULATED PROPERTIES

• Acid pKa: 15.299421
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8455979
• LogD (pH = 7.4): 1.8456
• Log P: 1.8456
• Molar Refractivity: 51.1056 cm^3
• Polarizability: 20.219995 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in organic solvents
• Apperance: Liquid
• Boiling Point: 66-68°C/0.5mm
• Density: 0.995
• Refractive Index: 1.4200

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%