88-19-7
Product Name:
2-Methylbenzene-1-sulfonamide
Formula:
C7H9NO2S
Synonyms:
o-Toluenesulfonamide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder |
|---|---|
| Color/Form | Octahedral crystals from alcohol; prisms from water |
| Boiling Point | 214 °C at 10 mm Hg |
| Melting Point | 156.3 °C |
| Solubility | In water, 1.62X10+3 mg/L at 25 °C |
| Density | 1.46 g/cm³ |
| Vapor Pressure | 0.00006 [mmHg] |
| LogP | log Kow = 0.84 |
| Henry's Law Constant | Henry's Law constant = 4.7X10-7 atm-cu m/mole at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Other Experimental Properties | Max Absorption (0.1 N HCl): 270 nm (log e = 3.1); 276 nm (log e = 3.0) |
| Chemical Classes | Nitrogen Compounds -> Sulfonamides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 171.22 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.03539970 g/mol |
| Monoisotopic Mass | 171.03539970 g/mol |
| Topological Polar Surface Area | 68.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 217 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |