[2,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 97958
• Molecular Formular: C8H7ClF6N2
• Molecular Mass: 280.5979992
• Monoisotopic Mass: 280.02019523
• SMILES: FC(c1c(cc(cc1)C(F)(F)F)NN)(F)F.Cl
• Canonical SMILES: NNc1cc(ccc1C(F)(F)F)C(F)(F)F.Cl
• InChI: InChI=1S/C8H6F6N2.ClH/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)16-15;/h1-3,16H,15H2;1H
• InChIKey: BLAAPLQHIQDNFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [2,5-bis(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: 2,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD03788549
• PubChem SID: 162084435
• PubChem CID: 44717515

CALCULATED PROPERTIES

• Acid pKa: 17.524181
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.009393
• LogD (pH = 7.4): 3.1189406
• Log P: 3.1205854
• Molar Refractivity: 47.7121 cm^3
• Polarizability: 15.759047 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant