(4-trifluoromethanesulfonylphenyl)hydrazine

• ChemBase ID: 256197
• Molecular Formular: C7H7F3N2O2S
• Molecular Mass: 240.2028896
• Monoisotopic Mass: 240.01803313
• SMILES: S(=O)(=O)(C(F)(F)F)c1ccc(NN)cc1
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)6-3-1-5(12-11)2-4-6/h1-4,12H,11H2
• InChIKey: SIJLORWDYWCBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-trifluoromethanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (4-trifluoromethanesulfonylphenyl)hydrazine
• Synonyms: {4-[(trifluoromethyl)sulfonyl]phenyl}hydrazine

Database IDs

• MDL Number: MFCD02333330
• PubChem SID: 164312107
• PubChem CID: 1391565

CALCULATED PROPERTIES

• Acid pKa: 17.77141
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.253883
• LogD (pH = 7.4): 2.3127897
• Log P: 2.3136077
• Molar Refractivity: 49.5983 cm^3
• Polarizability: 18.44839 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 2.489

Product Information

• Purity: 95%