(4-difluoromethanesulfonylphenyl)hydrazine

• ChemBase ID: 268448
• Molecular Formular: C7H8F2N2O2S
• Molecular Mass: 222.2124264
• Monoisotopic Mass: 222.02745495
• SMILES: S(=O)(=O)(C(F)F)c1ccc(NN)cc1
• Canonical SMILES: NNc1ccc(cc1)S(=O)(=O)C(F)F
• InChI: InChI=1S/C7H8F2N2O2S/c8-7(9)14(12,13)6-3-1-5(11-10)2-4-6/h1-4,7,11H,10H2
• InChIKey: XOJLKMODSWOANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-difluoromethanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (4-difluoromethanesulfonylphenyl)hydrazine
• Synonyms: [4-(difluoromethane)sulfonylphenyl]hydrazine

Database IDs

• MDL Number: MFCD12174238
• PubChem SID: 164324358
• PubChem CID: 271371

CALCULATED PROPERTIES

• Acid pKa: 17.988571
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7421654
• LogD (pH = 7.4): 1.8029156
• Log P: 1.8037583
• Molar Refractivity: 49.5495 cm^3
• Polarizability: 18.530535 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.326

Product Information

• Purity: 95%