3-bromo-2,5-dichloropyridine

• ChemBase ID: 22236
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: c1(cnc(c(c1)Br)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)Br)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
• InChIKey: CDBHWRZEXFQNBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,5-dichloropyridine
• IUPAC Traditional name: 3-bromo-2,5-dichloropyridine
• Synonyms: 3-Bromo-2,5-dichloropyridine; 3-Bromo-2,5-dichloropyridine; 3-溴-2,5-二氯吡啶

Database IDs

• CAS Number: 138006-41-4
• MDL Number: MFCD06659484
• PubChem SID: 160985543
• PubChem CID: 12901596

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9525926
• LogD (pH = 7.4): 2.9525926
• Log P: 2.9525926
• Molar Refractivity: 42.1948 cm^3
• Polarizability: 16.362581 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-40°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• 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%; 98%