(2-chloro-6-fluorophenyl)hydrazine

• ChemBase ID: 94493
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: Fc1cccc(c1NN)Cl
• Canonical SMILES: NNc1c(F)cccc1Cl
• InChI: InChI=1S/C6H6ClFN2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2
• InChIKey: CGMWMYHEKGCISN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-fluorophenyl)hydrazine
• IUPAC Traditional name: (2-chloro-6-fluorophenyl)hydrazine
• Synonyms: 1-Chloro-3-fluoro-2-hydrazinobenzene; 2-Chloro-6-fluorophenylhydrazine 97%; 2-Chloro-6-fluorophenylhydrazine

Database IDs

• CAS Number: 175276-74-1
• MDL Number: MFCD00042213
• PubChem SID: 162081147
• PubChem CID: 2736574

CALCULATED PROPERTIES

• Acid pKa: 14.218563
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.05216
• LogD (pH = 7.4): 2.109695
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.507214 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-69°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon