di-tert-butylphosphane

• ChemBase ID: 138900
• Molecular Formular: C8H19P
• Molecular Mass: 146.210221
• Monoisotopic Mass: 146.12243724
• SMILES: CC(C)(C)PC(C)(C)C
• Canonical SMILES: CC(PC(C)(C)C)(C)C
• InChI: InChI=1S/C8H19P/c1-7(2,3)9-8(4,5)6/h9H,1-6H3
• InChIKey: CRHWEIDCXNDTMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butylphosphane
• IUPAC Traditional name: di-tert-butylphosphane
• Synonyms: Bis(tert-butyl)phosphine; HP(t-Bu)2; Di-tert-butylphosphine; 二叔丁基膦

Database IDs

• CAS Number: 819-19-2
• MDL Number: MFCD00134241
• Beilstein Number: 1918492
• PubChem SID: 162233151; 24862331
• PubChem CID: 136643

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4766455
• LogD (pH = 7.4): 1.4825238
• Log P: 1.4826
• Molar Refractivity: 45.0046 cm^3
• Polarizability: 18.204153 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.79 g/mL at 25 °C(lit.)
• Ligand For: Buchwald-Hartwig Cross Coupling Reaction; Heck Reaction; Suzuki-Miyaura Coupling

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: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H314
• GHS Precautionary statements: P210-P222-P231-P280-P305 + P351 + P338-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: 98%
• Linear Formula: (CH3)3CPHC(CH3)3

DETAILS

Sigma Aldrich - 362719

Packaging
1, 5 g in ampule