3-chloro-2-fluoropyridine

• ChemBase ID: 16368
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1cnc(c(c1)Cl)F
• Canonical SMILES: Clc1cccnc1F
• InChI: InChI=1S/C5H3ClFN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: IHGMHTQDGNVKTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-fluoropyridine
• IUPAC Traditional name: 3-chloro-2-fluoropyridine
• Synonyms: 3-Chloro-2-fluoropyridine; 3-Chloro-2-fluoropyridine; 3-氯-2-氟吡啶

Database IDs

• CAS Number: 1480-64-4
• MDL Number: MFCD04114144
• PubChem SID: 160979675
• PubChem CID: 2762818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8962507
• LogD (pH = 7.4): 1.8962507
• Log P: 1.8962507
• Molar Refractivity: 29.937 cm^3
• Polarizability: 11.1128 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162°C; 162°C
• Flash Point: 52°C; 52°C(126°F)
• Density: 1.33
• Refractive Index: 1.5030

Safety Information

• Storage Warning: Corrosive/Flammable/Harmful
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/21/22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H314-H318-H226-H302-H312-H332
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%; 98%