3-chloro-2,5-difluoropyridine

• ChemBase ID: 71376
• Molecular Formular: C5H2ClF2N
• Molecular Mass: 149.5258864
• Monoisotopic Mass: 148.98438319
• SMILES: c1(c(cc(cn1)F)Cl)F
• Canonical SMILES: Fc1cnc(c(c1)Cl)F
• InChI: InChI=1S/C5H2ClF2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
• InChIKey: ATKDHGGWYZLPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2,5-difluoropyridine
• IUPAC Traditional name: 3-chloro-2,5-difluoropyridine
• Synonyms: 3-Chloro-2,5-difluoropyridine; 3-Chloro-2,5-difluoropyridine; 3-氯-2,5-二氟吡啶

Database IDs

• CAS Number: 851179-00-5
• MDL Number: MFCD09998887
• PubChem SID: 162036966
• PubChem CID: 19371877

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0389526
• LogD (pH = 7.4): 2.0389526
• Log P: 2.0389526
• Molar Refractivity: 30.1534 cm^3
• Polarizability: 10.993418 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4800

Safety Information

• Storage Warning: Flammable/Corrosive/Harmful/Store under Argon; IRRITANT
• 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: 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: 97%; 98%