3,6-difluoropyridazine

• ChemBase ID: 66915
• Molecular Formular: C4H2F2N2
• Molecular Mass: 116.0688864
• Monoisotopic Mass: 116.01860451
• SMILES: c1(ccc(nn1)F)F
• Canonical SMILES: Fc1ccc(nn1)F
• InChI: InChI=1S/C4H2F2N2/c5-3-1-2-4(6)8-7-3/h1-2H
• InChIKey: RVECZHFENFMRHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-difluoropyridazine
• IUPAC Traditional name: 3,6-difluoropyridazine
• Synonyms: 3,6-Difluoropyridazine

Database IDs

• CAS Number: 33097-39-1
• MDL Number: MFCD09909693
• PubChem SID: 162032651
• PubChem CID: 141761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.84906864
• LogD (pH = 7.4): 0.84906864
• Log P: 0.84906864
• Molar Refractivity: 26.2266 cm^3
• Polarizability: 8.200386 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%