methyl diphenyl phosphite

• ChemBase ID: 303151
• Molecular Formular: C13H13O3P
• Molecular Mass: 248.214281
• Monoisotopic Mass: 248.06023091
• SMILES: COP(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: COP(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C13H13O3P/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: NYCZNDFWFCCTPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl diphenyl phosphite
• IUPAC Traditional name: methyl diphenyl phosphite
• Synonyms: Methyl diphenylphosphite; 二苯基亚膦酸甲酯

Database IDs

• CAS Number: 3577-87-5
• MDL Number: MFCD00014886

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2693
• LogD (pH = 7.4): 4.2693
• Log P: 4.2693
• Molar Refractivity: 67.5319 cm^3
• Polarizability: 26.516481 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Toxic (T)
• UN Number: UN3278
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38
• Safety Statements: 26-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A