Benzenesulfonic acid, 4-chloro-
4-Chlorobenzenesulfonic acid
CAS: 98-66-8
Molecular Formula: C6H5ClO3S
Benzenesulfonic acid, 4-chloro- - Names and Identifiers
| Name | 4-Chlorobenzenesulfonic acid |
| Synonyms | Closylate 4-chlorobenzenesulfonate 4-chloro-benzenesulfonicaci P-CHLOROBENZENESULFONIC ACID p-Chlorobenzenesulfonic acid 4-Chlorobenzenesulfonec acid 4-Chlorobenzenesulfonic acid 4-CHLOROBENZENESULFONIC ACID 4-Chlorobenzene Sulfonic Acid 4-CHLOROBENZENESULPHONIC ACID 4-Chloro Benzene Sulphonic Acid 4-CHLORO BENZENE SULPHONIC ACID Benzenesulfonic acid, 4-chloro- 4-Chlorobenzensulfonic acid hydrate |
| CAS | 98-66-8 |
| EINECS | 202-690-0 |
| InChI | InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)/p-1 |
| InChIKey | RJWBTWIBUIGANW-UHFFFAOYSA-N |
Benzenesulfonic acid, 4-chloro- - Physico-chemical Properties
| Molecular Formula | C6H5ClO3S |
| Molar Mass | 192.62 |
| Density | 1.449 (estimate) |
| Melting Point | 102 °C |
| Boling Point | 149 °C/22 mmHg (lit.) |
| Water Solubility | very faint turbidity |
| Vapor Presure | 0.00696mmHg at 25°C |
| Appearance | solid |
| Color | White to Light yellow to Light orange |
| Merck | 14,2122 |
| pKa | -0.83±0.50(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| MDL | MFCD00065342 |
| Physical and Chemical Properties | Melting Point: 102 ℃ |
Benzenesulfonic acid, 4-chloro- - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2583 8/PG 2 |
| WGK Germany | 3 |
| RTECS | DB5074000 |
| HS Code | 29041000 |
| Hazard Class | 8 |
| Packing Group | III |
Benzenesulfonic acid, 4-chloro- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | intermediate of medicine and dye. |
| production method | (1) from the amino benzene sulfonic acid by diazotization, elimination of amino benzene sulfonic acid, hydrochloric acid added to water, after cooling to below 20 °c, sodium nitrite solution was added dropwise, and the diazo liquid was obtained at the end of the reaction. In addition, copper sulfate and sodium chloride were added to water at about 80 ° C., and after all of them were dissolved, an alkaline sodium sulfite solution was added dropwise. The reaction was completed for 20min, cooled to room temperature, allowed to stand, and the precipitate was washed by pouring method. Hydrochloric acid was added to dissolve, cooled to below 0 ° C., and the above diazo liquid was added dropwise to generate p-chlorobenzene sulfonic acid. The reaction solution was heated to 80 ° C., salted out with salt, and sodium p-chlorobenzene sulfonate was obtained by filtration. (2) 98% concentrated sulfuric acid and 10% fuming sulfuric acid were added to the reaction pan by sulfonation of chlorobenzene, and the mixture was stirred for 15min. Dry Chlorobenzene was gradually added, and the reaction was stirred at 95-100 ° C. For 5h to check the end point of sulfonation. When the end point is reached, the acidity of the reactant is not more than 70% and can be dissolved completely in water. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: > 500 mg/kg |
| flammability hazard characteristics | thermal decomposition of toxic sulfur oxides, chloride smoke |
| storage and transportation characteristics | low temperature ventilation and drying |
| fire extinguishing agent | water, carbon dioxide, foam, dry powder |
Last Update：2024-04-09 02:00:12
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