(bromomethylidene)dimethylazanium bromide

• ChemBase ID: 149335
• Molecular Formular: C3H7Br2N
• Molecular Mass: 216.90238
• Monoisotopic Mass: 214.89452323
• SMILES: C[N+](=CBr)C.[Br-]
• Canonical SMILES: BrC=[N+](C)C.[Br-]
• InChI: InChI=1S/C3H7BrN.BrH/c1-5(2)3-4;/h3H,1-2H3;1H/q+1;/p-1
• InChIKey: XIXYNENNFUBWFK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromomethylidene)dimethylazanium bromide
• IUPAC Traditional name: (bromomethylidene)dimethylazanium bromide
• Synonyms: (Bromomethylene)dimethyliminium bromide; 溴甲烯基二甲基溴化铵

Database IDs

• CAS Number: 24774-61-6
• MDL Number: MFCD00191854
• Beilstein Number: 4155730
• PubChem SID: 162243502; 24865753
• PubChem CID: 11020323

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.8687906
• LogD (pH = 7.4): -2.8687906
• Log P: -2.8687906
• Molar Refractivity: 37.676 cm^3
• Polarizability: 10.150291 Å^3
• Polar Surface Area: 3.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-153 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (AT); 95%
• Grade: technical
• Linear Formula: BrCH=N(CH3)2(Br)

DETAILS

Sigma Aldrich - 411531

Packaging
25 g in glass bottle