potassium tris(3-methylbutan-2-yl)boranuide

• ChemBase ID: 150302
• Molecular Formular: C15H33BK
• Molecular Mass: 263.33182
• Monoisotopic Mass: 263.23123814
• SMILES: [B-](C(C)C(C)C)(C(C)C(C)C)C(C)C(C)C.[K+]
• Canonical SMILES: CC([B-](C(C(C)C)C)C(C(C)C)C)C(C)C.[K+]
• InChI: InChI=1S/C15H34B.K/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-16H,1-9H3;/q-1;+1
• InChIKey: YRNNNASDMLRTCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tris(3-methylbutan-2-yl)boranuide
• IUPAC Traditional name: potassium tris(3-methylbutan-2-yl)boranuide
• Synonyms: Potassium trisiamylborohydride solution; KS-Selectride® solution; 三二异戊基氢硼化钾 溶液; KS-Selectride® 溶液

Database IDs

• CAS Number: 67966-25-0
• MDL Number: MFCD00011699
• PubChem SID: 24853192; 162244463
• PubChem CID: 23676661

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0066
• LogD (pH = 7.4): 5.0066
• Log P: 5.0066
• Molar Refractivity: 71.3075 cm^3
• Polarizability: 30.85639 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.915 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-22-34
• Safety Statements: 16-26-27-36/37/39-45
• RID/ADR: UN 3399 4.3/PG 1

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: KB[CH(CH3)CH(CH3)2]3H

DETAILS

Sigma Aldrich - 220779

Application
Reagent for the stereoselective reduction of ketones.

• Reducing agent (reductant)1
• Reagent for stereoselective synthesis2
Packaging
100 mL in Sure/Seal™
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC