(3-chloro-2-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 98312
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: Fc1c(cccc1Cl)NN.Cl
• Canonical SMILES: NNc1cccc(c1F)Cl.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-4-2-1-3-5(10-9)6(4)8;/h1-3,10H,9H2;1H
• InChIKey: TWYLYPMRIHFEQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-2-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chloro-2-fluorophenyl)hydrazine hydrochloride
• Synonyms: (3-chloro-2-fluorophenyl)hydrazine hydrochloride; 3-Chloro-2-fluorophenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD03094280
• PubChem SID: 162084758
• PubChem CID: 25067375

CALCULATED PROPERTIES

• Acid pKa: 16.001719
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0302076
• LogD (pH = 7.4): 2.1103244
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.523798 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.452

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%