70-55-3
Product Name:
p-Toluenesulfonamide
Formula:
C7H9NO2S
Synonyms:
p-Toluenesulfonamide;4-Toluenesulfonamide;PTSA
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder |
|---|---|
| Color/Form | Monoclinic plates (w+2) |
| Boiling Point | BP: 214 °C at 10 mm Hg |
| Melting Point | 138 °C |
| Flash Point | 202 °C (396 °F) Closed cup |
| Solubility | In water, 3.16X10+3 mg/L at 25 °C |
| Vapor Pressure | 0.000096 [mmHg] |
| LogP | log Kow = 0.82 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), sulfur oxides. |
| Dissociation Constants | pKa = 10.17 at 20 °C |
| Kovats Retention Index | 1692 |
| Other Experimental Properties | Monoclinic plates /Dihydrate/ |
| Chemical Classes | Nitrogen Compounds -> Sulfonamides |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
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 | 209 |
| 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 |
PRODUCT INTRODUCTION
description
Toluene-4-sulfonamide is a sulfonamide that is benzenesulfonamide bearing a methyl group at position 4.