(2,6-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 94998
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: N(c1c(cccc1F)F)N.Cl
• Canonical SMILES: NNc1c(F)cccc1F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
• InChIKey: RSOSGLCEIHAGQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-difluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,6-difluorophenyl)hydrazine hydrochloride
• Synonyms: 1,3-Difluoro-2-hydrazinobenzene hydrochloride; 2,6-Difluorophenylhydrazine hydrochloride 97%; (2,6-difluorophenyl)hydrazine hydrochloride; 2,6-Difluorophenylhydrazine hydrochloride

Database IDs

• CAS Number: 502496-26-6
• MDL Number: MFCD03094169
• PubChem SID: 162081649
• PubChem CID: 24721343

CALCULATED PROPERTIES

• Acid pKa: 13.03523
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6038383
• LogD (pH = 7.4): 1.6440024
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.347007 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 1.857

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon/Keep Cold

Product Information

• Purity: 95%