(2,3-difluorophenyl)hydrazine hydrochloride

• ChemBase ID: 97814
• Molecular Formular: C6H7ClF2N2
• Molecular Mass: 180.5829864
• Monoisotopic Mass: 180.02658235
• SMILES: N(c1c(c(ccc1)F)F)N.Cl
• Canonical SMILES: NNc1cccc(c1F)F.Cl
• InChI: InChI=1S/C6H6F2N2.ClH/c7-4-2-1-3-5(10-9)6(4)8;/h1-3,10H,9H2;1H
• InChIKey: SDFAWGYUVRQFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 60481-38-1
• PubChem SID: 162084356
• PubChem CID: 22597151

CALCULATED PROPERTIES

• Acid pKa: 15.559502
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5766757
• LogD (pH = 7.4): 1.6489898
• Log P: 1.6502923
• Molar Refractivity: 36.1975 cm^3
• Polarizability: 12.344049 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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