3-bromo-5-fluoropyridine

• ChemBase ID: 16371
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1(cncc(c1)Br)F
• Canonical SMILES: Fc1cncc(c1)Br
• InChI: InChI=1S/C5H3BrFN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: HNNNBQRRIHKFLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-fluoropyridine
• IUPAC Traditional name: 3-bromo-5-fluoropyridine
• Synonyms: 3-Bromo-5-fluoropyridine 98%; 3-Bromo-5-fluoropyridine; 3-Bromo-5-fluoropyridine; 3-Bromo-5-fluoropyridine; 3-Bromo-5-fluoro-pyridine; 3-溴-5-氟吡啶

Database IDs

• CAS Number: 407-20-5
• MDL Number: MFCD04112555
• PubChem SID: 160979678; 24883447
• PubChem CID: 820206

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6670163
• LogD (pH = 7.4): 1.6670278
• Log P: 1.667028
• Molar Refractivity: 31.7403 cm^3
• Polarizability: 12.184083 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 24-28 °C; 24-28°C; 24-28°C
• Boiling Point: 78°C/11mm
• Flash Point: 147.2 °F; 64 °C; 64°C; 64°C(148°F)
• Hydrophobicity(logP): 1.743

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H311-H302-H332-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C5H3BrFN

DETAILS

Sigma Aldrich - 646296

Packaging
1, 5 g in glass bottle