3,4-dichlorobenzene-1-sulfonohydrazide

• ChemBase ID: 73507
• Molecular Formular: C6H6Cl2N2O2S
• Molecular Mass: 241.09504
• Monoisotopic Mass: 239.9527038
• SMILES: S(=O)(=O)(c1cc(c(cc1)Cl)Cl)NN
• Canonical SMILES: NNS(=O)(=O)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(3-6(5)8)13(11,12)10-9/h1-3,10H,9H2
• InChIKey: FKLGJXZMKOGQAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichlorobenzene-1-sulfonohydrazide
• IUPAC Traditional name: 3,4-dichlorobenzenesulfonohydrazide
• Synonyms: 3,4-Dichlorobenzenesulphonylhydrazide; 3,4-dichlorobenzenesulfonohydrazide

Database IDs

• CAS Number: 6655-74-9
• MDL Number: MFCD01765419
• PubChem SID: 162038426
• PubChem CID: 2735965

CALCULATED PROPERTIES

• Acid pKa: 8.821361
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4923062
• LogD (pH = 7.4): 1.5909061
• Log P: 1.4908903
• Molar Refractivity: 52.3096 cm^3
• Polarizability: 20.984173 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-124(subl.)°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%