sodium tris(butan-2-yl)boranuide

• ChemBase ID: 149705
• Molecular Formular: C12H27BNa
• Molecular Mass: 205.14355
• Monoisotopic Mass: 205.21035055
• SMILES: [B-](C(C)CC)(C(C)CC)C(C)CC.[Na+]
• Canonical SMILES: CCC([B-](C(CC)C)C(CC)C)C.[Na+]
• InChI: InChI=1S/C12H28B.Na/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
• InChIKey: JUFGMKFPFVIKOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tris(butan-2-yl)boranuide
• IUPAC Traditional name: sodium tris(sec-butyl)boranuide
• Synonyms: Sodium tri-sec-butylborohydride solution; N-Selectride®; 三仲丁基硼氢化钠 溶液

Database IDs

• CAS Number: 67276-04-4
• MDL Number: MFCD00011709
• PubChem SID: 24852780; 162243867
• PubChem CID: 23709779

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0151
• LogD (pH = 7.4): 4.0151
• Log P: 4.0151
• Molar Refractivity: 57.6617 cm^3
• Polarizability: 25.317432 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °C; 5 °F
• Density: 0.893 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: NaB[CH(CH3)C2H5]3H

DETAILS

Sigma Aldrich - 213403

Packaging
100 mL in Sure/Seal™
Application

• Reducing agentReactant for:
• Conjugate hydride reduction-initiated tandem cyclization reactions
• Sereoselective nucleophilic addition reactions
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC