98-09-9
Benzenesulfonyl chloride
CAS: 98-09-9
Molecular Formula: C6H5ClO2S
98-09-9 - Names and Identifiers
| Name | Benzenesulfonyl chloride |
| Synonyms | BSC Phenylchloro sulfone Benzene sulfochloride Benzenesulphochloride Benzenesulfonyl chloride Benzenesulfonyle chloride Benzenesulphonyl chloride BENZENE SULFONYL CHLORIDE 4-Benzenesulfonic acid chloride BENZENESULFONYL CHLORIDE FOR SYNTHESIS Benzenesulfonyl chloride for HPLC derivatization |
| CAS | 98-09-9 |
| EINECS | 202-636-6 |
| InChI | InChI=1/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H |
98-09-9 - Physico-chemical Properties
| Molecular Formula | C6H5ClO2S |
| Molar Mass | 176.62 |
| Density | 1.384 g/mL at 25 °C (lit.) |
| Melting Point | 13-15 °C (lit.) |
| Boling Point | 251-252 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | may decompose |
| Solubility | alcohol: soluble |
| Vapor Presure | 0.04 mm Hg ( 20 °C) |
| Appearance | Liquid |
| Color | Clear |
| Merck | 14,1072 |
| BRN | 606926 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with water, strong oxidizing agents, strong bases, methyl formamide, dimethyl sulfoxide. |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.551(lit.) |
| Physical and Chemical Properties | Colorless transparent oily liquid. melting point 15~17 ℃ boiling point 251~252 ℃ relative density 1.3842 solubility insoluble in cold water, soluble in ethanol, ether. |
| Use | For the preparation of sulfonamide drugs, etc., also used to identify a variety of amines |
98-09-9 - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R34 - Causes burns R42/43 - May cause sensitization by inhalation and skin contact. R29 - Contact with water liberates toxic gas R22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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.) |
| UN IDs | UN 2225 8/PG 3 |
| WGK Germany | 1 |
| RTECS | DB8750000 |
| FLUKA BRAND F CODES | 21 |
| TSCA | Yes |
| HS Code | 29049090 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orl-rat: 1960 mg/kg MEPAAX 20,513,69 |
98-09-9 - Nature
Open Data Verified Data
colorless transparent oily liquid. Melting point 15-17 °c. Boiling point of 251~252 degrees C (decomposition). The relative density was 1.3842. Insoluble in cold water, soluble in ethanol, ether.
Last Update：2024-01-02 23:10:35
98-09-9 - Preparation Method
Open Data Verified Data
first, chlorosulfonic acid was put into a reaction kettle, and then benzene was dripped at 20 to 25 ° C., and the reaction was carried out under heat preservation. The reaction solution was separated, extracted and distilled under reduced pressure to obtain a finished product. The by-product hydrogen chloride gas in the operation should be absorbed into dilute hydrochloric acid with water for later use.
Last Update：2022-01-01 10:55:53
98-09-9 - Use
Open Data Verified Data
used in dyes, organic synthesis and pharmaceutical industry (manufacturing sulfonamides, etc.), also used to identify various amines.
Last Update：2022-01-01 10:55:53
98-09-9 - Safety
Open Data Verified Data
- toxic, can stimulate the eyes, skin, mucous membranes and cause inflammation. Chlorosulfonic acid, a raw material used in the production, is extremely irritating and corrosive. Rat oral LD501960mg/kg inhalation 1 hour LC50 32 x 10 -6. Protective equipment should be worn during operation, and the equipment should be sealed. The maximum allowable concentration in air is 0.3 mg/m3.
- packaged in plastic barrels or iron barrels or ceramic pots lined with an anti-corrosion coating. Anti-freezing, anti-heat, moisture-proof. Store in a dry, well-ventilated place.
Last Update：2022-01-01 10:55:54
98-09-9 - Reference Information
| LogP | 3.39 at 23℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | benzenesulfonyl chloride is a white flake crystal with a melting point of 69-71 ℃, which is an important intermediate in organic synthesis, it is mainly used for the synthesis of chloramphenicol, a T, and other drugs. |
| Application | benzenesulfonyl chloride is a versatile chemical intermediate for the preparation of sulfonamides and the identification of various amines. |
| preparation method | synthesis of industrial benzenesulfonyl chloride benzene and chlorosulfonic acid were used as raw materials and purified by sulfonation. The current synthesis method of benzene sulfonyl chloride is to use excess sulfonyl chloride and benzene for sulfonation reaction. After the reaction is finished, the excess sulfonyl chloride is destroyed by water washing, and then neutralized by alkali washing. The process has the following problems: 1, because chlorosulfonic acid is a strong acid, it will immediately decompose and release a large amount of gas and heat when exposed to water, which is prone to accidents; 2. The sulfonation reaction temperature is high, and the content of by-products such as phenyl sulfone is high, this results in a low yield of benzenesulfonyl chloride of only 40-50%. |
| Use | to identify various amines, also used in organic synthesis for the preparation of sulfonamide drugs, it is also used to identify various amines benzenesulfonyl chloride is a kind of organic synthesis raw material, in the pesticide for the synthesis of the intermediate of the silkworm poison insecticide, the sulfonic acid sodium thiobenzenesulfonate, and also the intermediate of medicine and dye. pesticides, dyes, pharmaceutical intermediates. For the manufacture of ice dye base, such as red base B, red base GL. Used in the manufacture of sulfonamides. Benzenesulfonyl chloride is a reagent for the assay of gums. |
| production method | the preparation method is to combine benzene and chlorosulfonic acid with 1: 3(mol) the reaction was carried out at 20 to 30 ° C. For 2H to obtain a crude product of benzenesulfonyl chloride, which was refined to obtain a finished product. |
| category | corrosive article |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1960 mg/kg; Oral-mouse LD50: 828 mg/kg |
| explosive hazard characteristics | explosive in a sealed bottle; Reaction with dimethyl sulfoxide; intense Reaction with methylformamide |
| flammability hazard characteristics | flammable; Decomposition of toxic chloride gases when exposed to water; toxic chloride and sulfur oxide fumes from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; With oxidant, H pore agent, alkali, separate storage of cyanide |
| extinguishing agent | Sand, dry stone, carbon dioxide |
| Occupational Standard | sel 1 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:12
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