(2-bromo-4,6-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 279511
• Molecular Formular: C6H6BrClF2N2
• Molecular Mass: 259.4790464
• Monoisotopic Mass: 257.93709432
• SMILES: c1(c(cc(cc1Br)F)F)NN.Cl
• Canonical SMILES: NNc1c(F)cc(cc1Br)F.Cl
• InChI: InChI=1S/C6H5BrF2N2.ClH/c7-4-1-3(8)2-5(9)6(4)11-10;/h1-2,11H,10H2;1H
• InChIKey: IOWKVZHOULRYKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20441557
• PubChem SID: 164335421
• PubChem CID: 53348415

CALCULATED PROPERTIES

• Acid pKa: 14.811865
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3630579
• LogD (pH = 7.4): 2.4177744
• Log P: 2.419045
• Molar Refractivity: 43.8203 cm^3
• Polarizability: 15.46585 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 235 - 237°C
• Hydrophobicity(logP): 2.859

Product Information

• Purity: 95%