(2-chloro-4,6-difluorophenyl)hydrazine

• ChemBase ID: 245563
• Molecular Formular: C6H5ClF2N2
• Molecular Mass: 178.5671064
• Monoisotopic Mass: 178.01093229
• SMILES: c1(c(cc(cc1Cl)F)F)NN
• Canonical SMILES: NNc1c(F)cc(cc1Cl)F
• InChI: InChI=1S/C6H5ClF2N2/c7-4-1-3(8)2-5(9)6(4)11-10/h1-2,11H,10H2
• InChIKey: QMVMJKUFXVUBNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4,6-difluorophenyl)hydrazine
• IUPAC Traditional name: (2-chloro-4,6-difluorophenyl)hydrazine
• Synonyms: (2-chloro-4,6-difluorophenyl)hydrazine

Database IDs

• MDL Number: MFCD09745149
• PubChem SID: 164301473
• PubChem CID: 14624506

CALCULATED PROPERTIES

• Acid pKa: 14.417935
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.203357
• LogD (pH = 7.4): 2.253039
• Log P: 2.254337
• Molar Refractivity: 41.0023 cm^3
• Polarizability: 14.343644 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 2.709

Product Information

• Purity: 95%