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.