lithium(1+) ion tris(3-methylbutan-2-yl)boranuide

• ChemBase ID: 147112
• Molecular Formular: C15H33BLi
• Molecular Mass: 231.17452
• Monoisotopic Mass: 231.28353601
• SMILES: [Li+].[B-](C(C)C(C)C)(C(C)C(C)C)C(C)C(C)C
• Canonical SMILES: CC([B-](C(C(C)C)C)C(C(C)C)C)C(C)C.[Li+]
• InChI: InChI=1S/C15H34B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-16H,1-9H3;/q-1;+1
• InChIKey: DGIADQRDWIBVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tris(3-methylbutan-2-yl)boranuide
• IUPAC Traditional name: lithium(1+) ion tris(3-methylbutan-2-yl)boranuide
• Synonyms: Lithium trisiamylborohydride solution; LS-Selectride® solution; 三戊基硼氢化锂 溶液; LS-Selectride® 溶液

Database IDs

• CAS Number: 60217-34-7
• MDL Number: MFCD00011700
• PubChem SID: 162241303; 24853533
• PubChem CID: 23679709

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: 0.903 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: LiB[CH(CH3)CH(CH3)2]3H

DETAILS

Sigma Aldrich - 225924

Packaging
100 mL in Sure/Seal™
Application
Reactant for:
• Nucleophilic addition reactions1
• Conjugate reduction-initiated cyclization reactions2
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC