tert-butylbis(propan-2-yl)phosphane

• ChemBase ID: 135795
• Molecular Formular: C10H23P
• Molecular Mass: 174.263381
• Monoisotopic Mass: 174.15373737
• SMILES: CC(C)P(C(C)C)C(C)(C)C
• Canonical SMILES: CC(P(C(C)(C)C)C(C)C)C
• InChI: InChI=1S/C10H23P/c1-8(2)11(9(3)4)10(5,6)7/h8-9H,1-7H3
• InChIKey: OLSMQSZDUXXYAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butylbis(propan-2-yl)phosphane
• IUPAC Traditional name: tert-butyldiisopropylphosphane
• Synonyms: tert-Butyldiisopropylphosphine; 叔丁基二异丙基膦

Database IDs

• CAS Number: 51567-05-6
• MDL Number: MFCD06200720
• PubChem SID: 24883018; 162230067
• PubChem CID: 555002

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.031012
• LogD (pH = 7.4): 2.0346737
• Log P: 2.6523
• Molar Refractivity: 59.1422 cm^3
• Polarizability: 21.897072 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-79 °C/10 mmHg(lit.)
• Density: 0.837 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-34
• Safety Statements: 7-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H23P

DETAILS

Sigma Aldrich - 639346

Packaging
1, 5 g in glass bottle
Application

• Monodentate P-Donor Ligand1
• Catalyst for selective propylene dimerization to dimethylbutenes2