sodium triethylboranuide

• ChemBase ID: 145810
• Molecular Formular: C6H15BNa
• Molecular Mass: 120.98407
• Monoisotopic Mass: 121.11645016
• SMILES: [B-](CC)(CC)CC.[Na+]
• Canonical SMILES: CC[B-](CC)CC.[Na+]
• InChI: InChI=1S/C6H16B.Na/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
• InChIKey: YDTZLEUIYNMRLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium triethylboranuide
• IUPAC Traditional name: sodium lithium triethylborohydride
• Synonyms: Sodium triethylborate; Sodium triethylhydridoborate; Sodium triethylhydroborate; Sodium triethylborohydride solution; 三乙基硼氢化钠 溶液

Database IDs

• CAS Number: 17979-81-6
• MDL Number: MFCD00011704
• Beilstein Number: 4151241
• PubChem SID: 24852781; 24853623; 162240012
• PubChem CID: 23667700

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2587
• LogD (pH = 7.4): 1.2587
• Log P: 1.2587
• Molar Refractivity: 31.1477 cm^3
• Polarizability: 14.245001 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C; 44.6 °F; 7 °C
• Density: 0.866 g/mL at 25 °C; 0.89 g/mL at 25 °C

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; 63-11-14/15-34-48/20-65-67
• Safety Statements: 16-26-36/37/39-43-45; 16-26-36/37/39-43-45-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H304-H314-H336-H361d-H373; H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P301 + P310-P422; P210-P231 + P232-P261-P280-P305 + P351 + P338-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.; Reacts violently with water.

Product Information

• Concentration: ~1 M in THF; 1.0 M in THF; 1.0 M in toluene
• Grade: purum
• Linear Formula: (C2H5)3NaBH

DETAILS

Sigma Aldrich - 227307

Packaging
100 mL in Sure/Seal™
Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5

Sigma Aldrich - 213411

Packaging
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5

Sigma Aldrich - 72054

Application
Reactant for:
• Preparation of alcohols by hydrogenation of ketones catalyzed by an iron pincer complex1
• Preparation of alkali metal boron monohydride complexes2
• Coordinative substitution reactions3
• Ligand exchange reactions4
• Hydridic reagent5