2-bromo-6-fluoropyridine

• ChemBase ID: 18095
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1c(nc(cc1)Br)F
• Canonical SMILES: Fc1cccc(n1)Br
• InChI: InChI=1S/C5H3BrFN/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: ZIDIKYIZXMYHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-fluoropyridine
• IUPAC Traditional name: 2-bromo-6-fluoropyridine
• Synonyms: 2-Bromo-6-fluoropyridine; 2-Bromo-6-fluoropyridine; 2-溴-6-氟吡啶

Database IDs

• CAS Number: 10019-16-6; 144100-07-2
• EC Number: 000-000-0
• MDL Number: MFCD03095258
• PubChem SID: 160981402
• PubChem CID: 639438

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2664807
• LogD (pH = 7.4): 2.2664807
• Log P: 2.2664807
• Molar Refractivity: 33.5972 cm^3
• Polarizability: 12.22904 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-32°C; 30-34°C
• Boiling Point: 162-164°C
• Refractive Index: 1.532

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: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 97%; 98%