Benzenesulfonyl chloride, 3-broMo-
3-Bromobenzenesulfonyl chloride
CAS: 2905-24-0
Molecular Formula: C6H4BrClO2S
Benzenesulfonyl chloride, 3-broMo- - Names and Identifiers
| Name | 3-Bromobenzenesulfonyl chloride |
| Synonyms | m-Bromobenzenesulfonyl m-bromobenzenesulfonyl chloride 3-BROMOBENZENESULFONYL CHLORIDE 3-Bromobenzenesulfonyl chloride 3-BROMOBENZENESULPHONYL CHLORIDE 3-BROMOBENZENE-1-SULFONYL CHLORIDE Benzenesulfonyl chloride, 3-broMo- |
| CAS | 2905-24-0 |
| EINECS | 628-300-2 |
| InChI | InChI=1/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H |
| InChIKey | PJGOLCXVWIYXRQ-UHFFFAOYSA-N |
Benzenesulfonyl chloride, 3-broMo- - Physico-chemical Properties
| Molecular Formula | C6H4BrClO2S |
| Molar Mass | 255.52 |
| Density | 1.773 g/mL at 25 °C (lit.) |
| Melting Point | 30-33 °C |
| Boling Point | 90-91 °C/0.5 mmHg (lit.) |
| Flash Point | >110°C |
| Vapor Presure | 0.000909mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| BRN | 2691656 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.593(lit.) |
| Physical and Chemical Properties | 3-bromobenzenesulfonyl chloride in normal temperature and pressure is colorless light yellow liquid of the latter. 3-bromophenylsulfonyl chloride belongs to sulfonyl chloride protecting group, sensitive to water, should be kept as dry as possible, in chemical synthesis often react with hydroxyl to synthesize sulfonic acid ester product. |
Benzenesulfonyl chloride, 3-broMo- - Risk and Safety
| Risk Codes | R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 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.) S36 - Wear suitable protective clothing. |
| UN IDs | UN 3265 8/PG 2 |
| WGK Germany | 3 |
| HS Code | 29049090 |
| Hazard Note | Corrosive/Moisture Sensitive |
| Hazard Class | 8 |
| Packing Group | II |
Benzenesulfonyl chloride, 3-broMo- - Reference Information
| Uses | 3-bromobenzenesulfonyl chloride can be used as an intermediate in pharmaceutical chemistry and organic synthesis, and often reacts with hydroxyl groups to obtain sulfonate products. In the synthetic transformation, the acid chloride can react with alcohol compounds under weak basic conditions to obtain sulfonate products, and the bromine atoms in the structure can be easily coupled to the benzene ring at the No. 3 position through Suzuki. An aryl or alkyl group; in addition, the bromine atom can be converted into a boron unit through the boronization reaction and then subsequent derivatization. |
| Preparation method | Add N-chlorosuccinimide (0.6 mmol, 2.0 equivalent) to sulfonyl hydrazide (0.3 mmol) in acetonitrile (2 mL) at one time. In a solution, the mixture is stirred for 2 hours at room temperature, and the solvent is removed by evaporation under reduced pressure, the target product can be obtained by column chromatography (petroleum ether/ethyl acetate) separation of the purification residue. Fig. 3-synthesis route of bromobenzenesulfonyl chloride |
Last Update：2024-04-09 20:52:54
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