(dimethylphosphoryl)methane

• ChemBase ID: 303131
• Molecular Formular: C3H9OP
• Molecular Mass: 92.076721
• Monoisotopic Mass: 92.03910154
• SMILES: CP(=O)(C)C
• Canonical SMILES: CP(=O)(C)C
• InChI: InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3
• InChIKey: LRMLWYXJORUTBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethylphosphoryl)methane
• IUPAC Traditional name: (dimethylphosphoryl)methane
• Synonyms: Trimethylphosphine oxide; 三甲基氧膦

Database IDs

• CAS Number: 676-96-0
• EC Number: 211-633-9
• MDL Number: MFCD00013910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4186023
• LogD (pH = 7.4): -1.4186023
• Log P: -1.4186023
• Molar Refractivity: 24.3138 cm^3
• Polarizability: 9.546702 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 140-141°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• 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