(2,3,4-trifluorophenyl)hydrazine hydrochloride

• ChemBase ID: 95005
• Molecular Formular: C6H6ClF3N2
• Molecular Mass: 198.5734496
• Monoisotopic Mass: 198.01716054
• SMILES: Fc1c(ccc(c1F)NN)F.Cl
• Canonical SMILES: NNc1ccc(c(c1F)F)F.Cl
• InChI: InChI=1S/C6H5F3N2.ClH/c7-3-1-2-4(11-10)6(9)5(3)8;/h1-2,11H,10H2;1H
• InChIKey: WMZTZWBIOGCORL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,4-trifluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,3,4-trifluorophenyl)hydrazine hydrochloride
• Synonyms: 2,3,4-Trifluorophenylhydrazine hydrochloride; (2,3,4-trifluorophenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD03094176
• PubChem SID: 162081656
• PubChem CID: 44717387

CALCULATED PROPERTIES

• Acid pKa: 15.839829
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7282305
• LogD (pH = 7.4): 1.7919705
• Log P: 1.7929943
• Molar Refractivity: 36.4139 cm^3
• Polarizability: 12.218342 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.887

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%