cyclohexyl methyl methylphosphonate

• ChemBase ID: 303784
• Molecular Formular: C8H17O3P
• Molecular Mass: 192.192541
• Monoisotopic Mass: 192.09153103
• SMILES: COP(=O)(C)OC1CCCCC1
• Canonical SMILES: COP(=O)(OC1CCCCC1)C
• InChI: InChI=1S/C8H17O3P/c1-10-12(2,9)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
• InChIKey: UXITUBFQUAHYSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl methyl methylphosphonate
• IUPAC Traditional name: cyclohexyl methyl methylphosphonate
• Synonyms: Cyclohexyl methyl methylphosphonate; 甲基磷酸环己酯甲酯

Database IDs

• CAS Number: 7040-52-0
• MDL Number: MFCD08064211

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5843384
• LogD (pH = 7.4): 1.5843384
• Log P: 1.5843384
• Molar Refractivity: 47.1568 cm^3
• Polarizability: 19.44693 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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: 99%