4-chloro-2,3,5,6-tetrafluoropyridine

• ChemBase ID: 51713
• Molecular Formular: C5ClF4N
• Molecular Mass: 185.5068128
• Monoisotopic Mass: 184.96553957
• SMILES: c1(c(c(c(c(n1)F)F)Cl)F)F
• Canonical SMILES: Fc1nc(F)c(c(c1F)Cl)F
• InChI: InChI=1S/C5ClF4N/c6-1-2(7)4(9)11-5(10)3(1)8
• InChIKey: LLHMNSNECXJBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3,5,6-tetrafluoropyridine
• IUPAC Traditional name: 4-chloro-2,3,5,6-tetrafluoropyridine
• Synonyms: 4-Chloro-2,3,5,6-tetrafluoropyridine

Database IDs

• CAS Number: 52026-98-9
• MDL Number: MFCD00971927
• PubChem SID: 162056476
• PubChem CID: 12588455

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7182872
• LogD (pH = 7.4): 2.7182872
• Log P: 2.7182872
• Molar Refractivity: 31.6009 cm^3
• Polarizability: 10.958293 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122-123°C

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 98%