[2-chloro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 15546
• Molecular Formular: C7H7Cl2F3N2
• Molecular Mass: 247.0450896
• Monoisotopic Mass: 245.99383825
• SMILES: c1c(c(cc(c1)C(F)(F)F)NN)Cl.Cl
• Canonical SMILES: NNc1cc(ccc1Cl)C(F)(F)F.Cl
• InChI: InChI=1S/C7H6ClF3N2.ClH/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;/h1-3,13H,12H2;1H
• InChIKey: FRLINAXMXPSHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: [2-Chloro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD04966797
• PubChem SID: 160978853
• PubChem CID: 16237815

CALCULATED PROPERTIES

• Acid pKa: 17.526056
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7365847
• LogD (pH = 7.4): 2.8451688
• Log P: 2.8467815
• Molar Refractivity: 46.5432 cm^3
• Polarizability: 16.08718 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false