methyl(phenyl)phosphinoyl chloride

• ChemBase ID: 295491
• Molecular Formular: C7H8ClOP
• Molecular Mass: 174.564581
• Monoisotopic Mass: 174.00012919
• SMILES: CP(=O)(c1ccccc1)Cl
• Canonical SMILES: CP(=O)(c1ccccc1)Cl
• InChI: InChI=1S/C7H8ClOP/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
• InChIKey: BTMQENOUJJKBGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(phenyl)phosphinoyl chloride
• IUPAC Traditional name: methyl(phenyl)phosphinoyl chloride
• Synonyms: Methylphenylphosphinic chloride; 甲苯基氯化膦

Database IDs

• CAS Number: 5761-97-7
• MDL Number: MFCD00013902
• PubChem SID: 180681022
• PubChem CID: 21983

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.912
• LogD (pH = 7.4): 1.912
• Log P: 1.912
• Molar Refractivity: 44.1992 cm^3
• Polarizability: 17.294712 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Physical Property

• Boiling Point: 155`°C/11mm
• Flash Point: >110°C(230°F)
• Density: 1.266

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%