(2,6-difluorophenyl)hydrazine

• ChemBase ID: 94249
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: N(c1c(cccc1F)F)N
• Canonical SMILES: NNc1c(F)cccc1F
• InChI: InChI=1S/C6H6F2N2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2
• InChIKey: IPCPEQXQGSGYCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-difluorophenyl)hydrazine
• IUPAC Traditional name: (2,6-difluorophenyl)hydrazine
• Synonyms: 2,6-Difluorophenylhydrazine

Database IDs

• CAS Number: 119452-66-3
• MDL Number: MFCD06658266
• PubChem SID: 162080904
• PubChem CID: 2778921

CALCULATED PROPERTIES

• Acid pKa: 13.029381
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6090636
• LogD (pH = 7.4): 1.6497471
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.347007 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%