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| | 4-Nitrotoluene-2-sulfonic Acid Basic information |
| Product Name: | 4-Nitrotoluene-2-sulfonic Acid | | Synonyms: | 2-Methyl-5-nitrobenzenesalfonicacid;2-methyl-5-nitro-benzenesulfonicaci;2-toluenesulfonicacid,5-nitro;4-Nitro-o-toluenesulfonicacid;4-nitrotoluene-2-sulphonicacid;5-nitro-2-methylbenzenesulfonicacid;5-nitro-o-toluenesulfonicaci;5-nitro-o-toluenesulfonicacid | | CAS: | 121-03-9 | | MF: | C7H7NO5S | | MW: | 217.2 | | EINECS: | 204-445-3 | | Product Categories: | Intermediates of Dyes and Pigments | | Mol File: | 121-03-9.mol |  |
| | 4-Nitrotoluene-2-sulfonic Acid Chemical Properties |
| 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) | | InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N | | SMILES | C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C | | CAS DataBase Reference | 121-03-9(CAS DataBase Reference) | | EPA Substance Registry System | Benzenesulfonic acid, 2-methyl-5-nitro- (121-03-9) |
| Hazard Codes | Xn | | Risk Statements | 34-41-43-36-22 | | Safety Statements | 26-36/37/39-39-36/37 | | RIDADR | 3261 | | RTECS | DB7175000 | | TSCA | TSCA listed | | HS Code | 2904.99.4700 | | HazardClass | 8 | | PackingGroup | III | | Hazardous Substances Data | 121-03-9(Hazardous Substances Data) | | Toxicity | rat,LD50,oral,3710mg/kg (3710mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986. |
| | 4-Nitrotoluene-2-sulfonic Acid Usage And Synthesis |
| Chemical Properties | Plate-like crystals (recrystallized from water). Soluble in ethanol, ether, and chloroform. | | Uses | 5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener. | | 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. | | 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.
| | Definition | ChEBI: The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4. | | Flammability and Explosibility | Non flammable |
| | 4-Nitrotoluene-2-sulfonic Acid Preparation Products And Raw materials |
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