(4-bromo-2-chlorophenyl)hydrazine hydrochloride

• ChemBase ID: 269946
• Molecular Formular: C6H7BrCl2N2
• Molecular Mass: 257.94318
• Monoisotopic Mass: 255.91696559
• SMILES: c1(c(ccc(c1)Br)NN)Cl.Cl
• Canonical SMILES: NNc1ccc(cc1Cl)Br.Cl
• InChI: InChI=1S/C6H6BrClN2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
• InChIKey: AAGDJXZCBGGXTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05256438
• PubChem SID: 164325856
• PubChem CID: 16495428

CALCULATED PROPERTIES

• Acid pKa: 18.09378
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6120808
• LogD (pH = 7.4): 2.7358344
• Log P: 2.7376857
• Molar Refractivity: 48.1923 cm^3
• Polarizability: 17.67521 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 3.249

Product Information

• Purity: 95%