dicyclohexyl(phenyl)phosphane

• ChemBase ID: 145728
• Molecular Formular: C18H27P
• Molecular Mass: 274.380741
• Monoisotopic Mass: 274.18503749
• SMILES: c1ccc(cc1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2
• InChIKey: VPLLTGLLUHLIHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(phenyl)phosphane
• IUPAC Traditional name: dicyclohexylphenylphosphine
• Synonyms: Phenyldicyclohexylphosphine; Dicyclohexylphenylphosphine; 苯基二环己基膦; 双环己基苯基膦

Database IDs

• CAS Number: 6476-37-5
• EC Number: 229-334-7
• MDL Number: MFCD00003854
• PubChem SID: 24857330; 162239931
• PubChem CID: 80970

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.694997
• LogD (pH = 7.4): 4.9474835
• Log P: 5.1284
• Molar Refractivity: 83.9977 cm^3
• Polarizability: 33.74692 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 58-61°C; 60-61 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: SY9125000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P280F
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Linear Formula: (C6H11)2PC6H5

DETAILS

Sigma Aldrich - 288284

Packaging
1 g in glass bottle