(2-chloro-4-methanesulfonylphenyl)hydrazine

• ChemBase ID: 22555
• Molecular Formular: C7H9ClN2O2S
• Molecular Mass: 220.67656
• Monoisotopic Mass: 220.00732622
• SMILES: N(N)c1c(cc(cc1)S(=O)(=O)C)Cl
• Canonical SMILES: NNc1ccc(cc1Cl)S(=O)(=O)C
• InChI: InChI=1S/C7H9ClN2O2S/c1-13(11,12)5-2-3-7(10-9)6(8)4-5/h2-4,10H,9H2,1H3
• InChIKey: CLPMRWGTVXDAAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-4-methanesulfonylphenyl)hydrazine
• IUPAC Traditional name: (2-chloro-4-methanesulfonylphenyl)hydrazine
• Synonyms: 2-Chloro-4-methylsulfonylphenylhydrazine

Database IDs

• CAS Number: 85634-77-1
• MDL Number: MFCD00085989
• PubChem SID: 160985862
• PubChem CID: 4357831

CALCULATED PROPERTIES

• Acid pKa: 15.663545
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7715945
• LogD (pH = 7.4): 0.8086644
• Log P: 0.80924165
• Molar Refractivity: 54.5731 cm^3
• Polarizability: 20.822285 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131 oC

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false