(2-fluoro-5-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 238202
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: c1(c(ccc(c1)C)F)NN.Cl
• Canonical SMILES: NNc1cc(C)ccc1F.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c1-5-2-3-6(8)7(4-5)10-9;/h2-4,10H,9H2,1H3;1H
• InChIKey: SVKPTIJUJUSKTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-5-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-fluoro-5-methylphenyl)hydrazine hydrochloride
• Synonyms: (2-fluoro-5-methylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD09878859
• PubChem SID: 164294112
• PubChem CID: 44630745

CALCULATED PROPERTIES

• Acid pKa: 16.768753
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9153494
• LogD (pH = 7.4): 2.0194135
• Log P: 2.0210118
• Molar Refractivity: 41.0223 cm^3
• Polarizability: 14.319714 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.209

Product Information

• Purity: 95%