CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder; Water or Solvent Wet Solid |
|---|---|
| Color/Form | PRISMS OR PLATES FROM WATER |
| Melting Point | 133.5 °C |
| Flash Point | Flash point > 133 °C |
| Solubility | VERY SOL IN WATER, ALCOHOL, ETHER, CHLOROFORM |
| Chemical Classes | Nitrogen Compounds -> Nitrobenzesulfonic Acids |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. |
COMPUTED DESCRIPTORS
| Molecular Weight | 217.20 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.00449350 g/mol |
| Monoisotopic Mass | 217.00449350 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 314 |
| 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
4-Nitrotoluene-2-sulfonic acid is an important intermediate for the production of fluorescent whitening agents. It is used principally as starting material for the production of 4,4'-dinitrostilbene-2,2'-disulfonic acid, which in turn is used for the manufacture of a host of fluorescent whitening agents, based on cyanuric chloride, of the 4,4'-bis([1,3,5-triazin-2-yl]amino)-stilbene-2,2'-disulfonic acid type.
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