3,4-dibromo-2-fluoropyridine

• ChemBase ID: 71307
• Molecular Formular: C5H2Br2FN
• Molecular Mass: 254.8824832
• Monoisotopic Mass: 252.85380129
• SMILES: c1(c(nccc1Br)F)Br
• Canonical SMILES: Brc1c(Br)ccnc1F
• InChI: InChI=1S/C5H2Br2FN/c6-3-1-2-9-5(8)4(3)7/h1-2H
• InChIKey: RALUGCFMNLTFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-2-fluoropyridine
• IUPAC Traditional name: 3,4-dibromo-2-fluoropyridine
• Synonyms: 3,4-Dibromo-2-fluoropyridine; 3,4-Dibromo-2-fluoropyridine; 3,4-二溴-2-二氟吡啶

Database IDs

• CAS Number: 137718-84-4
• MDL Number: MFCD09037460
• PubChem SID: 162036897
• PubChem CID: 15135082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8297112
• LogD (pH = 7.4): 2.8297112
• Log P: 2.8297112
• Molar Refractivity: 40.3778 cm^3
• Polarizability: 15.411598 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74-77°C

Safety Information

• Storage Warning: 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: 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%