(4-bromo-2-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 94996
• Molecular Formular: C6H7BrClFN2
• Molecular Mass: 241.4885832
• Monoisotopic Mass: 239.94651613
• SMILES: Brc1cc(c(cc1)NN)F.Cl
• Canonical SMILES: NNc1ccc(cc1F)Br.Cl
• InChI: InChI=1S/C6H6BrFN2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
• InChIKey: LGMMJMDBRQXPIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-bromo-2-fluorophenyl)hydrazine hydrochloride
• Synonyms: 4-Bromo-2-fluorophenylhydrazine hydrochloride; 4-Bromo-2-fluorophenyl-hydrazine Monohydrochloride; 2-Fluoro-4-bromophenylhydrazine Hydrochloride; (4-bromo-2-fluorophenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 502496-24-4
• MDL Number: MFCD03094166
• PubChem SID: 162081647
• PubChem CID: 17389545

CALCULATED PROPERTIES

• Acid pKa: 16.414759
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1879485
• LogD (pH = 7.4): 2.2751105
• Log P: 2.2763429
• Molar Refractivity: 43.6039 cm^3
• Polarizability: 15.548209 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.577

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl