2,3-dibromo-6-chloropyridine

• ChemBase ID: 296403
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1cc(nc(c1Br)Br)Cl
• Canonical SMILES: Clc1ccc(c(n1)Br)Br
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-2-4(8)9-5(3)7/h1-2H
• InChIKey: YAEPXEMYHIOVFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-6-chloropyridine
• IUPAC Traditional name: 2,3-dibromo-6-chloropyridine
• Synonyms: 2,3-Dibromo-6-chloropyridine; 2,3-二溴-6-氯吡啶

Database IDs

• CAS Number: 885952-16-9
• MDL Number: MFCD06798229
• PubChem SID: 180681934
• PubChem CID: 42553002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3228226
• LogD (pH = 7.4): 3.3228226
• Log P: 3.3228226
• Molar Refractivity: 45.855 cm^3
• Polarizability: 17.551579 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%