tert-butyldimethylphosphane borane

• ChemBase ID: 140592
• Molecular Formular: C6H18BP
• Molecular Mass: 131.991881
• Monoisotopic Mass: 132.12391761
• SMILES: B.CC(C)(C)P(C)C
• Canonical SMILES: CP(C(C)(C)C)C.B
• InChI: InChI=1S/C6H15P.BH3/c1-6(2,3)7(4)5;/h1-5H3;1H3
• InChIKey: MHAGKNYBOOCWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylphosphane borane
• IUPAC Traditional name: tert-butyldimethylphosphane borane
• Synonyms: tert-Butyldimethylphosphine borane; 叔丁基二甲基膦硼烷

Database IDs

• PubChem SID: 24885386; 162234835
• PubChem CID: 11355501

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8998302
• LogD (pH = 7.4): 0.93779916
• Log P: 1.5711
• Molar Refractivity: 40.6106 cm^3
• Polarizability: 14.511799 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-168 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2813
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14-22
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H302
• GHS Precautionary statements: P231 + P232-P422
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2813 4.3/PG 2

Product Information

• Purity: 97%
• Linear Formula: C6H15P · BH3

DETAILS

Sigma Aldrich - 677647

Packaging
1 g in glass bottle
250 mg in glass bottle