(pentafluorophenyl)hydrazine hydrochloride

• ChemBase ID: 95002
• Molecular Formular: C6H4ClF5N2
• Molecular Mass: 234.554376
• Monoisotopic Mass: 233.99831692
• SMILES: N(c1c(c(c(c(c1F)F)F)F)F)N.Cl
• Canonical SMILES: NNc1c(F)c(F)c(c(c1F)F)F.Cl
• InChI: InChI=1S/C6H3F5N2.ClH/c7-1-2(8)4(10)6(13-12)5(11)3(1)9;/h13H,12H2;1H
• InChIKey: XMGBGXUOKHARDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (pentafluorophenyl)hydrazine hydrochloride
• Synonyms: Pentafluorophenylhydrazine hydrochloride 97%

Database IDs

• MDL Number: MFCD03094175
• PubChem SID: 162081653
• PubChem CID: 44717386

CALCULATED PROPERTIES

• Acid pKa: 11.846082
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0347013
• LogD (pH = 7.4): 2.0548246
• Log P: 2.078398
• Molar Refractivity: 36.8467 cm^3
• Polarizability: 12.154789 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant