5-bromo-2-fluoropyridine

• ChemBase ID: 13716
• Molecular Formular: C5H3BrFN
• Molecular Mass: 175.9864232
• Monoisotopic Mass: 174.94328932
• SMILES: c1(cnc(cc1)F)Br
• Canonical SMILES: Fc1ccc(cn1)Br
• InChI: InChI=1S/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: MYUQKYGWKHTRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-fluoropyridine
• IUPAC Traditional name: 5-bromo-2-fluoropyridine
• Synonyms: 5-Bromo-2-fluoropyridine; 5-Bromo-2-fluoropyridine; 2-Fluoro-5-bromopyridine; 5-溴-2-氟吡啶

Database IDs

• CAS Number: 766-11-0
• EC Number: 000-000-0
• MDL Number: MFCD01863742
• Beilstein Number: 1363171
• PubChem SID: 24874133; 160977023
• PubChem CID: 2783168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0609586
• LogD (pH = 7.4): 2.0609586
• Log P: 2.0609586
• Molar Refractivity: 32.755 cm^3
• Polarizability: 12.183699 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162-164 °C/750 mmHg(lit.); 162-164°C/750mm; 162-164°C
• Flash Point: 163.4 °F; 73 °C; 73°C; 73°C(163°F)
• Density: 1.71; 1.71 g/mL at 25 °C(lit.); 1.710; 1.72
• Refractive Index: 1.5294; 1.5325; 1.5330; n20/D 1.5325(lit.)
• Hydrophobicity(logP): 1.764

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H311-H302-H332-H315-H319-H335-H227; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

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

DETAILS

Sigma Aldrich - 520438

Packaging
5 g in glass bottle