2-chloro-4-fluoropyridine

• ChemBase ID: 13762
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1cnc(cc1F)Cl
• Canonical SMILES: Fc1ccnc(c1)Cl
• InChI: InChI=1S/C5H3ClFN/c6-5-3-4(7)1-2-8-5/h1-3H
• InChIKey: FGSAQRJRWCZLOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-fluoropyridine
• IUPAC Traditional name: 2-chloro-4-fluoropyridine
• Synonyms: 2-Chloro-4-fluoropyridine; 2-Chloro-4-fluoropyridine; 2-氯-4-氟吡啶

Database IDs

• CAS Number: 34941-91-8
• MDL Number: MFCD04039345
• Beilstein Number: 1634747
• PubChem SID: 160977069
• PubChem CID: 2782792

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.722488
• LogD (pH = 7.4): 1.7224971
• Log P: 1.7224972
• Molar Refractivity: 29.9836 cm^3
• Polarizability: 11.133721 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140°C; 140°C
• Flash Point: 54°C(129°F)
• Density: 1.456
• Refractive Index: 1.5015

Safety Information

• Storage Warning: Flammable/Irritant; TOXIC, FLAMMABLE
• European Hazard Symbols: Toxic (T)
• UN Number: UN2929
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 10-23/24/25-37/38-41
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Hazard statements: H301-H310-H330-H315-H335-H318-H226
• GHS Precautionary statements: P241-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A

Product Information

• Purity: 97%; 98%