[4-(2,2,2-trifluoroethoxy)phenyl]hydrazine hydrochloride

• ChemBase ID: 94956
• Molecular Formular: C8H10ClF3N2O
• Molecular Mass: 242.6260096
• Monoisotopic Mass: 242.04337529
• SMILES: N(c1ccc(cc1)OCC(F)(F)F)N.Cl
• Canonical SMILES: NNc1ccc(cc1)OCC(F)(F)F.Cl
• InChI: InChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-14-7-3-1-6(13-12)2-4-7;/h1-4,13H,5,12H2;1H
• InChIKey: HYPWATMQUYXQIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2,2,2-trifluoroethoxy)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-(2,2,2-trifluoroethoxy)phenyl]hydrazine hydrochloride
• Synonyms: 4'-Hydrazino-2,2,2-trifluorophenetole; 4-(2,2,2-Trifluoroethoxy)phenylhydrazine hydrochloride; [4-(2,2,2-trifluoroethoxy)phenyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD09763680
• PubChem SID: 162081608
• PubChem CID: 13929416

CALCULATED PROPERTIES

• Acid pKa: 19.858774
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9416491
• LogD (pH = 7.4): 2.1587067
• Log P: 2.1623135
• Molar Refractivity: 47.678 cm^3
• Polarizability: 16.662388 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.161

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 95%