dicyclohexylphosphane

• ChemBase ID: 111693
• Molecular Formular: C12H23P
• Molecular Mass: 198.284781
• Monoisotopic Mass: 198.15373737
• SMILES: C1CCC(CC1)PC1CCCCC1
• Canonical SMILES: C1CCC(CC1)PC1CCCCC1
• InChI: InChI=1S/C12H23P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
• InChIKey: HDULBKVLSJEMGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexylphosphane
• IUPAC Traditional name: dicyclohexylphosphane
• Synonyms: DICYCLOHEXYLPHOSPHINE; Cy2PH; Dicyclohexylphosphine; 二环己基膦

Database IDs

• CAS Number: 829-84-5
• EC Number: 212-590-9
• MDL Number: MFCD00014296
• PubChem SID: 162096802; 24884807
• PubChem CID: 13239

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1893134
• LogD (pH = 7.4): 3.200059
• Log P: 3.2002
• Molar Refractivity: 59.3234 cm^3
• Polarizability: 24.111364 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129 °C/8 mmHg; 129°C
• Flash Point: 2 °C; 35.6 °F
• Density: 0.98 g/ml
• Refractive Index: n20/D 1.516
• Ligand For: Suzuki-Miyaura Coupling

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-23/24/25-36-38
• Safety Statements: 17-26-36/37/39-45
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H301 + H311 + H331-H319
• GHS Precautionary statements: P210-P222-P231-P261-P280-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1
• Storage Temperature: 20-25°C

Product Information

• Purity: 97%
• Linear Formula: (C6H11)2PH

DETAILS

MP Biomedicals - 05220424

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 666572

Packaging
5, 25 g in ampule