(2-chloro-5-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 68802
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: N(N)c1c(ccc(c1)F)Cl.Cl
• Canonical SMILES: NNc1cc(F)ccc1Cl.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-5-2-1-4(8)3-6(5)10-9;/h1-3,10H,9H2;1H
• InChIKey: DDHOUQFXUDHPDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chloro-5-fluorophenyl)hydrazine hydrochloride
• Synonyms: (2-Chloro-5-fluorophenyl)hydrazine hydrochloride; 2-Chloro-5-fluorophenylhydrazine hydrochloride

Database IDs

• CAS Number: 502496-25-5
• MDL Number: MFCD03094167
• PubChem SID: 162034532
• PubChem CID: 44717381

CALCULATED PROPERTIES

• Acid pKa: 16.914526
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0130875
• LogD (pH = 7.4): 2.1102443
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.499109 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+%; 97%