[bis(dimethylamino)boranyl]dimethylamine

• ChemBase ID: 74417
• Molecular Formular: C6H18BN3
• Molecular Mass: 143.03822
• Monoisotopic Mass: 143.15937799
• SMILES: B(N(C)C)(N(C)C)N(C)C
• Canonical SMILES: CN(B(N(C)C)N(C)C)C
• InChI: InChI=1S/C6H18BN3/c1-8(2)7(9(3)4)10(5)6/h1-6H3
• InChIKey: SOLWORTYZPSMAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(dimethylamino)boranyl]dimethylamine
• IUPAC Traditional name: [bis(dimethylamino)boranyl]dimethylamine
• Synonyms: Hexamethylboranetriamine; NSC 379532; Tris(dimethylamino)borane; Tris(dimethylamino)borane; 三(二甲基氨基)硼烷

Database IDs

• CAS Number: 4375-83-1
• EC Number: 224-474-5
• MDL Number: MFCD00008299
• PubChem SID: 162039336; 24856906
• PubChem CID: 78081

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.46073
• LogD (pH = 7.4): -0.83472466
• Log P: 0.4646
• Molar Refractivity: 41.6802 cm^3
• Polarizability: 18.394579 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -16 °C(lit.)
• Boiling Point: 147-148 °C(lit.)
• Flash Point: -21 °C; -5.8 °F
• Density: 0.817 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-27-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 99%
• Linear Formula: B(N(CH3)2)3

DETAILS

Sigma Aldrich - 279730

Packaging
5 g in glass bottle
50 g in Sure/Seal™
Application
Reactant involved in:
• B-C-N hybrid films deposited on Ni1
• Reduction reactions2
• Syntehsis of lithium borom imidazolate framework polymeric complexes3
• One-pot oxidative amination4
• Synthesis of boron salts5 and tripodal borate ligands6