[4-bromo-2-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 272663
• Molecular Formular: C7H7BrClF3N2
• Molecular Mass: 291.4960896
• Monoisotopic Mass: 289.94332257
• SMILES: c1(C(F)(F)F)c(ccc(c1)Br)NN.Cl
• Canonical SMILES: NNc1ccc(cc1C(F)(F)F)Br.Cl
• InChI: InChI=1S/C7H6BrF3N2.ClH/c8-4-1-2-6(13-12)5(3-4)7(9,10)11;/h1-3,13H,12H2;1H
• InChIKey: QBFIXTYNAGMDAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-bromo-2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-bromo-2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: [4-bromo-2-(trifluoromethyl)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD18380735
• PubChem SID: 164328573
• PubChem CID: 50988739

CALCULATED PROPERTIES

• Acid pKa: 18.052519
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8852613
• LogD (pH = 7.4): 3.009617
• Log P: 3.0114896
• Molar Refractivity: 49.3612 cm^3
• Polarizability: 17.24422 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 3.646

Product Information

• Purity: 95%