bis(propan-2-yl) phenylphosphonite

• ChemBase ID: 295893
• Molecular Formular: C12H19O2P
• Molecular Mass: 226.251821
• Monoisotopic Mass: 226.11226648
• SMILES: CC(C)OP(c1ccccc1)OC(C)C
• Canonical SMILES: CC(OP(c1ccccc1)OC(C)C)C
• InChI: InChI=1S/C12H19O2P/c1-10(2)13-15(14-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
• InChIKey: LDNCAOOMUMJYTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl) phenylphosphonite
• IUPAC Traditional name: diisopropyl phenylphosphonite
• Synonyms: Phenylphosphonous acid diisopropyl ester; Diisopropyl phenylphosphonite; 苯基磷酸二异丙酯

Database IDs

• CAS Number: 36238-99-0
• MDL Number: MFCD00015024
• PubChem SID: 180681424
• PubChem CID: 298723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7967994
• LogD (pH = 7.4): 3.7968
• Log P: 3.7968
• Molar Refractivity: 63.1029 cm^3
• Polarizability: 25.461868 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-114°C/8mm
• Density: 0.995

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 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%