[4-(trifluoromethoxy)phenyl]hydrazine

• ChemBase ID: 24712
• Molecular Formular: C7H7F3N2O
• Molecular Mass: 192.1384896
• Monoisotopic Mass: 192.05104751
• SMILES: C(Oc1ccc(NN)cc1)(F)(F)F
• Canonical SMILES: NNc1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H,11H2
• InChIKey: GWFWCTYACJWQKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(trifluoromethoxy)phenyl]hydrazine
• IUPAC Traditional name: [4-(trifluoromethoxy)phenyl]hydrazine
• Synonyms: [4-(Trifluoromethoxy)phenyl]hydrazine; 4-(TrifluoroMethoxy)phenylhydrazine

Database IDs

• CAS Number: 13957-54-5; 133115-72-7
• MDL Number: MFCD02656471
• PubChem SID: 160988019
• PubChem CID: 605908

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5890296
• LogD (pH = 7.4): 2.7926733
• Log P: 2.796
• Molar Refractivity: 38.835 cm^3
• Polarizability: 14.878726 Å^3
• Polar Surface Area: 47.28 Å^2

PROPERTIES

Physical Property

• Melting Point: 230 - 232°C
• Hydrophobicity(logP): 2.477

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%