(3-fluoro-4-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 99462
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: N(c1cc(c(cc1)C)F)N.Cl
• Canonical SMILES: NNc1ccc(c(c1)F)C.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
• InChIKey: APQFRSWQIFVTQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-4-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-fluoro-4-methylphenyl)hydrazine hydrochloride
• Synonyms: 2-Fluoro-4-hydrazinotoluene hydrochloride; 3-Fluoro-4-methylphenylhydrazine hydrochloride; (3-fluoro-4-methylphenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 156941-64-9
• MDL Number: MFCD03094415
• PubChem SID: 162085727
• PubChem CID: 44557932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8398945
• LogD (pH = 7.4): 2.0181906
• Log P: 2.0210118
• Molar Refractivity: 41.0223 cm^3
• Polarizability: 14.319484 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

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%