3-bromo-2,6-dichloropyridine

• ChemBase ID: 22273
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1c(nc(c(c1)Br)Cl)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)Br
• InChI: InChI=1S/C5H2BrCl2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: PZHASTRIYXMWKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,6-dichloropyridine
• IUPAC Traditional name: 3-bromo-2,6-dichloropyridine
• Synonyms: 3-Bromo-2,6-dichloropyridine; 3-Bromo-2,6-dichloropyridine; 2,6-Dichloro-3-bromopyridine; 3-溴-2,6-二氯吡啶

Database IDs

• CAS Number: 866755-20-6
• MDL Number: MFCD06798231
• PubChem SID: 160985580
• PubChem CID: 21551819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1727698
• LogD (pH = 7.4): 3.1727698
• Log P: 3.1727698
• Molar Refractivity: 43.2561 cm^3
• Polarizability: 16.407581 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-71°C

Safety Information

• Storage Warning: Harmful; IRRITANT, TOXIC BY INHALATION
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%; 98%