N,N-dichloro-4-methylbenzene-1-sulfonamide

• ChemBase ID: 143533
• Molecular Formular: C7H7Cl2NO2S
• Molecular Mass: 240.10698
• Monoisotopic Mass: 238.95745483
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl
• Canonical SMILES: ClN(S(=O)(=O)c1ccc(cc1)C)Cl
• InChI: InChI=1S/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3
• InChIKey: ARGDYOIRHYLIMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dichloro-4-methylbenzene-1-sulfonamide
• IUPAC Traditional name: N,N-dichloro-4-methylbenzenesulfonamide
• Synonyms: Dichloramine T; N,N-Dichloro-p-toluenesulfonamide; N,N-Dichloro-4-methylbenzenesulfonamide

Database IDs

• CAS Number: 473-34-7
• EC Number: 207-462-4
• MDL Number: MFCD00058929
• PubChem SID: 162237751
• PubChem CID: 68056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6171272
• LogD (pH = 7.4): 2.6171272
• Log P: 2.6171272
• Molar Refractivity: 53.9297 cm^3
• Polarizability: 21.222263 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-83 °C

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 8-36/37/38
• Safety Statements: 17-36/37/39
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H271-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Storage Temperature: -20°C

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C7H7Cl2NO2S

DETAILS

Sigma Aldrich - 733423

Packaging
10, 25 g in glass bottle