[3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride

• ChemBase ID: 799225
• Molecular Formular: C7H9Cl2F3N2O
• Molecular Mass: 265.0603696
• Monoisotopic Mass: 264.00440294
• SMILES: Cl.Cl.N(N)c1cc(ccc1)OC(F)(F)F
• Canonical SMILES: NNc1cccc(c1)OC(F)(F)F.Cl.Cl
• InChI: InChI=1S/C7H7F3N2O.2ClH/c8-7(9,10)13-6-3-1-2-5(4-6)12-11;;/h1-4,12H,11H2;2*1H
• InChIKey: RTEHCXPRSJCHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
• IUPAC Traditional name: [3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
• Synonyms: 1-(3-(trifluoromethoxy)phenyl)hydrazine dihydrochloride

Database IDs

• CAS Number: 133115-55-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6147053
• LogD (pH = 7.4): 2.7931757
• Log P: 2.796
• Molar Refractivity: 38.835 cm^3
• Polarizability: 14.879622 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%