[4-fluoro-3-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 94995
• Molecular Formular: C7H7ClF4N2
• Molecular Mass: 230.5904928
• Monoisotopic Mass: 230.02338879
• SMILES: N(c1cc(c(cc1)F)C(F)(F)F)N.Cl
• Canonical SMILES: NNc1ccc(c(c1)C(F)(F)F)F.Cl
• InChI: InChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H
• InChIKey: KBJZDPPQFFSNDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-fluoro-3-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-fluoro-3-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: 4-Fluoro-3-(trifluoromethyl)phenylhydrazine hydrochloride; (4-FLUORO-3-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 502496-22-2
• MDL Number: MFCD03094164
• PubChem SID: 162081646
• PubChem CID: 44717385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2267375
• LogD (pH = 7.4): 2.383033
• Log P: 2.385439
• Molar Refractivity: 41.9548 cm^3
• Polarizability: 13.995857 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%