3-chloro-5-fluoropyridine

• ChemBase ID: 22341
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1(cncc(c1)Cl)F
• Canonical SMILES: Fc1cncc(c1)Cl
• InChI: InChI=1S/C5H3ClFN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: LTILYPOSFJLPSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-fluoropyridine
• IUPAC Traditional name: 3-chloro-5-fluoropyridine
• Synonyms: 3-Chloro-5-fluoropyridine; 3-Chloro-5-fluoropyridine; 3-氟-5-氯吡啶

Database IDs

• CAS Number: 514797-99-0
• MDL Number: MFCD05663707
• PubChem SID: 160985648
• PubChem CID: 12031536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5023116
• LogD (pH = 7.4): 1.5023199
• Log P: 1.50232
• Molar Refractivity: 28.9223 cm^3
• Polarizability: 11.0922785 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25-27°C; 26 - 30°C
• Boiling Point: 126°C
• Density: 1.331
• Refractive Index: 1.5015; 1.503
• Hydrophobicity(logP): 1.614

Safety Information

• Storage Warning: IRRITANT; Toxic
• European Hazard Symbols: Flammable (F); X
• UN Number: UN1325
• Hazard Class: 4.1
• Risk Statements: 11-20/21/22-37/38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H318-H315-H228-H302-H312-H332-H335
• GHS Precautionary statements: P280-P305+P351+P338-P310

Product Information

• Purity: 95%; 98%