(2,4,6-trichlorophenyl)hydrazine hydrochloride

• ChemBase ID: 293830
• Molecular Formular: C6H6Cl4N2
• Molecular Mass: 247.93724
• Monoisotopic Mass: 245.92850892
• SMILES: NNc1c(Cl)cc(Cl)cc1Cl.Cl
• Canonical SMILES: NNc1c(Cl)cc(cc1Cl)Cl.Cl
• InChI: InChI=1S/C6H5Cl3N2.ClH/c7-3-1-4(8)6(11-10)5(9)2-3;/h1-2,11H,10H2;1H
• InChIKey: ADTJGIMHXSBSPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trichlorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,4,6-trichlorophenyl)hydrazine hydrochloride
• Synonyms: (2,4,6-Trichlorophenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 2724-66-5
• MDL Number: MFCD04966800
• PubChem SID: 180679361
• PubChem CID: 3014122

CALCULATED PROPERTIES

• Acid pKa: 15.285168
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1044784
• LogD (pH = 7.4): 3.1760294
• Log P: 3.1770225
• Molar Refractivity: 50.1791 cm^3
• Polarizability: 18.626516 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%