trimethylamine borane

• ChemBase ID: 302413
• Molecular Formular: C3H12BN
• Molecular Mass: 72.94508
• Monoisotopic Mass: 73.10627979
• SMILES: B.CN(C)C
• Canonical SMILES: CN(C)C.B
• InChI: InChI=1S/C3H9N.BH3/c1-4(2)3;/h1-3H3;1H3
• InChIKey: WVMHLYQJPRXKLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylamine borane
• IUPAC Traditional name: trimethylamine borane
• Synonyms: Borane-trimethylamine complex; 硼烷-三甲氨络合物97%; 三甲氨基硼烷络合物

Database IDs

• CAS Number: 75-22-9
• EC Number: 200-850-4
• MDL Number: MFCD00012420
• Beilstein Number: 3905060

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.208248
• LogD (pH = 7.4): -1.966536
• Log P: 0.19016947
• Molar Refractivity: 19.9881 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 93-95°C
• Boiling Point: 172°C
• Flash Point: 64°C(147°F)
• Density: 0.81

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: PA0525000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1325
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%; 98%

REFERENCES

• Selective reducing agent. Reactivity in carbonyl reductions is promoted by protic or Lewis acids: J. Am. Chem. Soc., 86, 3882 (1964). In the presence of HCl, indoles are reduced to indolines: Synthesis, 508 (1974). For a review of amine boranes, see: Org. Prep. Proced. Int., 16, 335 (1984).