MDL: No. MFCD00005670
Storage temperature: 2.00℃
Molecular weight: 196.05 g/mol
Melting point: 90.00°C - 92.00°C
Category: Pharmaceutical intermediates: Heterocyclic compounds
Appearance: off-white crystal. Melting point 90-92℃.
Melting point: 90-92 °C(lit.)
Boiling point: 228.5°C (rough estimate)
Density: 1.5466 (rough estimate)
Refractive index: 1.6550 (estimate)
Storage conditions: -20°C
Solubility: 126mg/l (calculated)
Acidity coefficient (pKa): 16.04±0.30(Predicted)
Form: powder or block
Color: white to light brown
Detection method: HPLC, NMR
BRN: 112877
InChI: InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C=C1