4-Nitrotoluene-2-sulfonic Acid
- CAS NO.：121-03-9
- Empirical Formula: C7H7NO5S
- Molecular Weight: 217.2
- MDL number: MFCD00024914
- EINECS: 204-445-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-22 13:59:06
What is 4-Nitrotoluene-2-sulfonic Acid?
The Uses of 4-Nitrotoluene-2-sulfonic Acid
5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener.
Definition
ChEBI: The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.
Production Methods
4-Nitrotoluene is sulfonated with 25 % oleum at 60 ℃ and worked up to give a solution of the sodium salt of 2-Methyl-5-nitrobenzenesulfonic acid.
Flammability and Explosibility
Non flammable
4-Nitrotoluene-2-sulfonic acid application
4-Nitrotoluene-2-sulfonic acid is an essential intermediate for producing fluorescent whitening agents, thousands of tons of which are manufactured annually. 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. Further substantial amounts of 4-nitrotoluene-2-sulfonic acid are required to synthesize fluorescent whitening agents with other basic structures and of various dyes.
Properties of 4-Nitrotoluene-2-sulfonic Acid
| Melting point: | 135°C |
| Boiling point: | 500°C (rough estimate) |
| Density | 1.6040 (rough estimate) |
| vapor pressure | 0Pa at 20℃ |
| refractive index | 1.6100 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Methanol (Slightly), Water (Slightly) |
| pka | -1.14±0.33(Predicted) |
| form | Solid |
| color | Very Dark Brown |
| Water Solubility | 667g/L at 23℃ |
| InChI | InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13) |
| CAS DataBase Reference | 121-03-9(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenesulfonic acid, 2-methyl-5-nitro- (121-03-9) |
Safety information for 4-Nitrotoluene-2-sulfonic Acid
| 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 for 4-Nitrotoluene-2-sulfonic Acid
| InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C |
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