(2-bromo-4-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 252662
• Molecular Formular: C6H7BrClFN2
• Molecular Mass: 241.4885832
• Monoisotopic Mass: 239.94651613
• SMILES: c1(c(ccc(c1)F)NN)Br.Cl
• Canonical SMILES: NNc1ccc(cc1Br)F.Cl
• InChI: InChI=1S/C6H6BrFN2.ClH/c7-5-3-4(8)1-2-6(5)10-9;/h1-3,10H,9H2;1H
• InChIKey: GZLAVOAEBCYAAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-4-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-bromo-4-fluorophenyl)hydrazine hydrochloride
• Synonyms: (2-bromo-4-fluorophenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD08448703
• PubChem SID: 164308572
• PubChem CID: 16370085

CALCULATED PROPERTIES

• Acid pKa: 19.174034
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1441312
• LogD (pH = 7.4): 2.2744012
• Log P: 2.2763429
• Molar Refractivity: 43.6039 cm^3
• Polarizability: 15.551694 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): 2.679

Product Information

• Purity: 95%
• Salt Data: HCl