dimethyl ethylphosphonate

• ChemBase ID: 303811
• Molecular Formular: C4H11O3P
• Molecular Mass: 138.102101
• Monoisotopic Mass: 138.04458084
• SMILES: C(C)P(=O)(OC)OC
• Canonical SMILES: CCP(=O)(OC)OC
• InChI: InChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3
• InChIKey: YHQMSHVVGOSZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl ethylphosphonate
• IUPAC Traditional name: dimethyl ethylphosphonate
• Synonyms: Dimethyl ethylphosphonate; 乙基膦酸二甲酯

Database IDs

• CAS Number: 6163-75-3
• MDL Number: MFCD00065120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2640678
• LogD (pH = 7.4): 0.2640678
• Log P: 0.2640678
• Molar Refractivity: 31.015 cm^3
• Polarizability: 12.8627825 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 61-62°C/6mm

Safety Information

• Storage Warning: Air & Moisture 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: 97%