(2-chloro-4-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 34656
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: c1c(cc(c(c1)NN)Cl)F.Cl
• Canonical SMILES: NNc1ccc(cc1Cl)F.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-5-3-4(8)1-2-6(5)10-9;/h1-3,10H,9H2;1H
• InChIKey: QELCWIMDZKOJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chloro-4-fluorophenyl)hydrazine hydrochloride
• Synonyms: (2-Chloro-4-fluorophenyl)hydrazine hydrochloride; 2-Chloro-4-fluorophenylhydrazine hydrochloride

Database IDs

• CAS Number: 119452-65-2; 497959-29-2
• MDL Number: MFCD03788524
• PubChem SID: 160997963
• PubChem CID: 24721049

CALCULATED PROPERTIES

• Acid pKa: 18.547785
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9925036
• LogD (pH = 7.4): 2.1099124
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.506812 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%