2-bromo-4-fluoropyridine

• ChemBase ID: 64767
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1cnc(cc1F)Br
• Canonical SMILES: Fc1ccnc(c1)Br
• InChI: InChI=1S/C5H3BrFN/c6-5-3-4(7)1-2-8-5/h1-3H
• InChIKey: AIEATTRZKVGMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-fluoropyridine
• IUPAC Traditional name: 2-bromo-4-fluoropyridine
• Synonyms: 2-Bromo-4-fluoropyridine; 2-Bromo-4-fluoropyridine; 4-Fluoro-2-bromopyridine; 4-氟-2-溴吡啶; 2-溴-4-氟吡啶

Database IDs

• CAS Number: 357927-50-5
• MDL Number: MFCD09260909
• PubChem SID: 162030506
• PubChem CID: 21885884

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8725333
• LogD (pH = 7.4): 1.8725498
• Log P: 1.87255
• Molar Refractivity: 32.5825 cm^3
• Polarizability: 12.227608 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 168.8 °F; 76 °C
• Density: 1.699 g/mL at 25 °C
• Refractive Index: n20/D 1.537

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrFN

DETAILS

Sigma Aldrich - 723339

Packaging
1 g in glass bottle