cyclohexyldiphenylphosphane

• ChemBase ID: 146598
• Molecular Formular: C18H21P
• Molecular Mass: 268.333101
• Monoisotopic Mass: 268.1380873
• SMILES: c1ccc(cc1)P(c1ccccc1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
• InChIKey: ZXKWUYWWVSKKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyldiphenylphosphane
• IUPAC Traditional name: cyclohexyldiphenylphosphane
• Synonyms: Diphenylcyclohexylphosphine; Cyclohexyldiphenylphosphine; 环己基二苯基磷; 环己基双苯膦

Database IDs

• CAS Number: 6372-42-5
• EC Number: 228-904-2
• MDL Number: MFCD00046360
• PubChem SID: 162240792; 24873530
• PubChem CID: 80756

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1175
• LogD (pH = 7.4): 5.1175
• Log P: 5.1175
• Molar Refractivity: 82.8103 cm^3
• Polarizability: 33.044815 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: 58-62 °C(lit.); 58-62°C
• Flash Point: >110°C(230°F); 110 °C; 230 °F

Safety Information

• Storage Warning: Air Sensitive
• RTECS: SY8387500
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: C6H11P(C6H5)2

DETAILS

Sigma Aldrich - 510742

Packaging
5 g in glass bottle