[3-(trifluoromethoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 293419
• Molecular Formular: C7H8ClF3N2O
• Molecular Mass: 228.5994296
• Monoisotopic Mass: 228.02772523
• SMILES: NNc1cccc(OC(F)(F)F)c1.Cl
• Canonical SMILES: NNc1cccc(c1)OC(F)(F)F.Cl
• InChI: InChI=1S/C7H7F3N2O.ClH/c8-7(9,10)13-6-3-1-2-5(4-6)12-11;/h1-4,12H,11H2;1H
• InChIKey: ZXDHJICZICMRLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(trifluoromethoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [3-(trifluoromethoxy)phenyl]hydrazine hydrochloride
• Synonyms: (3-(Trifluoromethoxy)phenyl)hydrazine hydrochloride; (3-TRIFLUOROMETHOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 133115-55-6
• MDL Number: MFCD02671043
• PubChem SID: 180678950
• PubChem CID: 45046393

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: 95+%; 98%