di-tert-butyl(cyclohexyl)phosphane

• ChemBase ID: 142732
• Molecular Formular: C14H29P
• Molecular Mass: 228.353821
• Monoisotopic Mass: 228.20068756
• SMILES: CC(C)(C)P(C1CCCCC1)C(C)(C)C
• Canonical SMILES: CC(P(C(C)(C)C)C1CCCCC1)(C)C
• InChI: InChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
• InChIKey: HFFHNJKBAYQARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butyl(cyclohexyl)phosphane
• IUPAC Traditional name: di-tert-butyl(cyclohexyl)phosphane
• Synonyms: Cyclohexyldi-tert-butylphosphine; Di-tert-butylcyclohexylphosphine; 二叔丁基环己基膦

Database IDs

• CAS Number: 436865-11-1
• MDL Number: MFCD03426985
• PubChem SID: 162236958
• PubChem CID: 4643321

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2336538
• LogD (pH = 7.4): 3.2338326
• Log P: 3.4525
• Molar Refractivity: 75.6764 cm^3
• Polarizability: 28.54279 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 154.4 °F; 68 °C
• Density: 0.889 g/mL at 25 °C
• Refractive Index: n20/D 1.506

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 10-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H29P

DETAILS

Sigma Aldrich - 698288

Packaging
500 mg in glass bottle
Application
Reactant for:
• Dihydrogen activation1
• Synthesis of trinuclear ruthenium complexes2