dimethyl cyclohexylphosphonate

• ChemBase ID: 303777
• Molecular Formular: C8H17O3P
• Molecular Mass: 192.192541
• Monoisotopic Mass: 192.09153103
• SMILES: COP(=O)(C1CCCCC1)OC
• Canonical SMILES: COP(=O)(C1CCCCC1)OC
• InChI: InChI=1S/C8H17O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
• InChIKey: OZOVYDFZXJIQPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl cyclohexylphosphonate
• IUPAC Traditional name: dimethyl cyclohexylphosphonate
• Synonyms: Dimethyl cyclohexylphosphonate; 环己基磷酸二甲酯

Database IDs

• CAS Number: 1641-61-8
• MDL Number: MFCD00014300

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.637232
• LogD (pH = 7.4): 1.637232
• Log P: 1.637232
• Molar Refractivity: 47.4044 cm^3
• Polarizability: 19.44693 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: 30-32°C/0.1mm

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