(2-benzoylphenyl)dicyclohexylphosphane

• ChemBase ID: 142837
• Molecular Formular: C25H31OP
• Molecular Mass: 378.486801
• Monoisotopic Mass: 378.21125224
• SMILES: c1ccc(cc1)C(=O)c1ccccc1P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: O=C(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1
• InChI: InChI=1S/C25H31OP/c26-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
• InChIKey: NFAAYQZZHNIMDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-benzoylphenyl)dicyclohexylphosphane
• IUPAC Traditional name: (2-benzoylphenyl)dicyclohexylphosphane
• Synonyms: [2-(Dicyclohexylphosphino)phenyl]phenylmethanone; 2-(Dicyclohexylphosphino)benzophenone; 2-(二环己基膦)二苯甲酮

Database IDs

• CAS Number: 256926-87-1
• MDL Number: MFCD11656164
• PubChem SID: 162237063
• PubChem CID: 53411822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2985144
• LogD (pH = 7.4): 6.348937
• Log P: 6.3498
• Molar Refractivity: 114.5732 cm^3
• Polarizability: 45.39698 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 139-146 °C

Safety Information

• German water hazard class: 3
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C25H31OP

DETAILS

Sigma Aldrich - 697532

Packaging
250 mg in glass bottle