dicyclohexyl(2,4,6-trimethylphenyl)phosphane

• ChemBase ID: 142464
• Molecular Formular: C21H33P
• Molecular Mass: 316.460481
• Monoisotopic Mass: 316.23198769
• SMILES: Cc1cc(c(c(c1)C)P(C1CCCCC1)C1CCCCC1)C
• Canonical SMILES: Cc1cc(C)cc(c1P(C1CCCCC1)C1CCCCC1)C
• InChI: InChI=1S/C21H33P/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h14-15,19-20H,4-13H2,1-3H3
• InChIKey: FZMRUTAFFILQPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl(2,4,6-trimethylphenyl)phosphane
• IUPAC Traditional name: dicyclohexyl(2,4,6-trimethylphenyl)phosphane
• Synonyms: Dicyclohexyl(2,4,6-trimethylphenyl)phosphine; 二环己基(2,4,6-三甲基苯基)膦

Database IDs

• CAS Number: 870703-48-3
• MDL Number: MFCD08276772
• PubChem SID: 162236693; 24883862
• PubChem CID: 16217916

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.227687
• LogD (pH = 7.4): 6.2729006
• Log P: 6.53
• Molar Refractivity: 99.1213 cm^3
• Polarizability: 39.04454 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 81-85 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C21H33P

DETAILS

Sigma Aldrich - 651877

Packaging
1, 10 g in glass bottle