(2,5-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 95085
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: N(c1c(ccc(c1)F)F)N.Cl
• Canonical SMILES: NNc1cc(F)ccc1F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-4-1-2-5(8)6(3-4)10-9;/h1-3,10H,9H2;1H
• InChIKey: LZKLZCSHMDRKJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,5-difluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,5-difluorophenyl)hydrazine hydrochloride
• Synonyms: 2,5-Difluorophenylhydrazine hydrochloride 97%; 2,5-Difluorophenylhydrazine hydrochloride

Database IDs

• CAS Number: 175135-73-6
• MDL Number: MFCD00013385
• PubChem SID: 162081735
• PubChem CID: 24720967

CALCULATED PROPERTIES

• Acid pKa: 15.357854
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5808338
• LogD (pH = 7.4): 1.6489794
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.346409 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210(dec.)°C

Safety Information

• Storage Warning: Irritant