benzenesulfonamide

• ChemBase ID: 106877
• Molecular Formular: C6H7NO2S
• Molecular Mass: 157.19028
• Monoisotopic Mass: 157.01974947
• SMILES: NS(=O)(=O)c1ccccc1
• Canonical SMILES: NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
• InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzenesulfonamide
• IUPAC Traditional name: benzenesulfonamide
• Synonyms: BENZENESULFONAMIDE; Benzenesulfonamide; 苯磺酰胺

Database IDs

• CAS Number: 98-10-2
• EC Number: 202-637-1
• MDL Number: MFCD00007930
• Beilstein Number: 1100566
• PubChem SID: 162089096; 24847684; 24846803
• PubChem CID: 7370

CALCULATED PROPERTIES

• Acid pKa: 10.237508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5792695
• LogD (pH = 7.4): 0.57871765
• Log P: 0.57927656
• Molar Refractivity: 38.2159 cm^3
• Polarizability: 15.622481 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149-152 °C(lit.); 149-154 °C; 150 - 152°C; 151-154°C
• Flash Point: 250°C(482°F)
• Hydrophobicity(logP): 0.305

Safety Information

• RTECS: DA9380000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22-36/37/38
• Safety Statements: 36; S:25-26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P280F
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... CA1(759)

Product Information

• Purity: ≥97.0% (HPLC); ≥98%; 95%; 97%; 98%; 98+%
• Grade: purum
• Linear Formula: C6H5SO2NH2

DETAILS

MP Biomedicals - 05201735

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 108146

Packaging
100, 500 g in poly bottle
5 g in glass bottle