(2-fluoro-4-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 239939
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: c1(c(cc(cc1)C)F)NN.Cl
• Canonical SMILES: NNc1ccc(cc1F)C.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,10H,9H2,1H3;1H
• InChIKey: DFQZJMAPHJZMRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-4-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-fluoro-4-methylphenyl)hydrazine hydrochloride
• Synonyms: (2-fluoro-4-methylphenyl)hydrazine hydrochloride; (2-FLUORO-4-METHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 5052/5/1
• MDL Number: MFCD06738785
• PubChem SID: 164295849
• PubChem CID: 53420391

CALCULATED PROPERTIES

• Acid pKa: 17.336008
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9155567
• LogD (pH = 7.4): 2.0195115
• Log P: 2.0210118
• Molar Refractivity: 41.0223 cm^3
• Polarizability: 14.319256 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.209

Product Information

• Purity: 95%; 98%