(2,4,5-trifluorophenyl)hydrazine hydrochloride

• ChemBase ID: 242850
• Molecular Formular: C6H6ClF3N2
• Molecular Mass: 198.5734496
• Monoisotopic Mass: 198.01716054
• SMILES: c1(cc(c(cc1F)F)F)NN.Cl
• Canonical SMILES: NNc1cc(F)c(cc1F)F.Cl
• InChI: InChI=1S/C6H5F3N2.ClH/c7-3-1-5(9)6(11-10)2-4(3)8;/h1-2,11H,10H2;1H
• InChIKey: LBNDNZBABIMTRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,5-trifluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2,4,5-trifluorophenyl)hydrazine hydrochloride
• Synonyms: (2,4,5-trifluorophenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD22578527
• PubChem SID: 164298760
• PubChem CID: 68811486

CALCULATED PROPERTIES

• Acid pKa: 15.647682
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7317691
• LogD (pH = 7.4): 1.7919888
• Log P: 1.7929943
• Molar Refractivity: 36.4139 cm^3
• Polarizability: 12.22058 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 2.069

Product Information

• Purity: 95%