dibromane tetramethylazanium bromide

• ChemBase ID: 295923
• Molecular Formular: C4H12Br3N
• Molecular Mass: 313.85678
• Monoisotopic Mass: 310.85198539
• SMILES: C[N+](C)(C)C.[Br-].BrBr
• Canonical SMILES: C[N+](C)(C)C.BrBr.[Br-]
• InChI: InChI=1S/C4H12N.Br2.BrH/c1-5(2,3)4;1-2;/h1-4H3;;1H/q+1;;/p-1
• InChIKey: XEECTQARLYOZHV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromane tetramethylazanium bromide
• IUPAC Traditional name: Brom tetramethylammonium bromide
• Synonyms: Tetramethylammonium bromide perbromide; Tetramethylammonium tribromide; 四甲基三溴化铵

Database IDs

• CAS Number: 15625-56-6
• EC Number: 239-700-8
• MDL Number: MFCD00032165
• Beilstein Number: 3914655
• PubChem SID: 180681454
• PubChem CID: 73995074

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-120°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%

REFERENCES

• Mild reagent for the addition of bromine to double bonds, and, in the presence of a radical initiator, benzylic bromination: J. Org. Chem., 28, 3256 (1963).