lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide

• ChemBase ID: 146492
• Molecular Formular: C8H15BLi
• Molecular Mass: 128.9567
• Monoisotopic Mass: 129.14268543
• SMILES: [Li+].[BH-]1[C@H]2CCC[C@@H]1CCC2
• Canonical SMILES: C1C[C@@H]2CCC[C@H](C1)[BH-]2.[Li+]
• InChI: InChI=1S/C8H16B.Li/c1-3-7-5-2-6-8(4-1)9-7;/h7-8H,1-6,9H2;/q-1;+1/t7-,8+
• InChIKey: FKBNTWWZQZPVGU-KVZVIFLMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide
• IUPAC Traditional name: lithium(1+) ion (1s,5s)-9-borabicyclo[3.3.1]nonan-9-uide
• Synonyms: Lithium 9-BBN hydride solution; 9-BBN 氢化锂 溶液

Database IDs

• CAS Number: 76448-08-3
• MDL Number: MFCD00213560
• PubChem SID: 24861234; 162240688
• PubChem CID: 11105381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0674
• LogD (pH = 7.4): 1.0674
• Log P: 1.0674
• Molar Refractivity: 35.9034 cm^3
• Polarizability: 16.43096 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20 °C; -4 °F
• Density: 0.919 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3399
• German water hazard class: 2
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-25-34
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H301-H314
• GHS Precautionary statements: P210-P223-P231 + P232-P280-P370 + P378-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 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF
• Empirical Formula (Hill Notation): C8H16BLi

DETAILS

Sigma Aldrich - 344230

Packaging
50, 500 mL in Sure/Seal™
Application
Reactant for:
• Preparation of Ti dihydridodiorganylborate compounds1
• Lithium imidazolium borate sulfonate triple ionic compounds as Li cation conductive matrixes2
• Reduction reactions (reducing agent)3