(2-fluorophenyl)hydrazine

• ChemBase ID: 94408
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: Fc1c(cccc1)NN
• Canonical SMILES: NNc1ccccc1F
• InChI: InChI=1S/C6H7FN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2
• InChIKey: PENWGQNPFRRVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluorophenyl)hydrazine
• IUPAC Traditional name: (2-fluorophenyl)hydrazine
• Synonyms: (2-fluorophenyl)hydrazine; 2-Fluorophenylhydrazine

Database IDs

• CAS Number: 2368-80-1
• MDL Number: MFCD00041260
• PubChem SID: 162081062
• PubChem CID: 423844

CALCULATED PROPERTIES

• Acid pKa: 16.647337
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.409334
• LogD (pH = 7.4): 1.5061022
• Log P: 1.5075904
• Molar Refractivity: 35.9811 cm^3
• Polarizability: 12.561621 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C; 47°C
• Boiling Point: 76-79°C/3mm
• Hydrophobicity(logP): 1.71

Safety Information

• Storage Warning: Toxic/Keep Cold/Store under Argon

Product Information

• Purity: 95%