Cas no 1805487-45-9 (3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride)
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride is a versatile sulfonyl chloride derivative used primarily as an intermediate in organic synthesis. Its key advantages include a reactive sulfonyl chloride group, which facilitates further functionalization, and the presence of both bromo and cyano substituents, offering multiple sites for selective modifications. The methyl group enhances stability while maintaining reactivity. This compound is particularly valuable in pharmaceutical and agrochemical research for constructing complex sulfonamide-based structures. Its well-defined reactivity profile and compatibility with various coupling reactions make it a useful building block for synthesizing specialized aromatic compounds. Proper handling under anhydrous conditions is recommended due to its moisture sensitivity.
1805487-45-9 structure
Product Name:3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride
CAS No:1805487-45-9
MF:C8H5BrClNO2S
MW:294.552798986435
CID:4789439
Update Time:2025-10-21
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride
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- Inchi: 1S/C8H5BrClNO2S/c1-5-6(4-11)2-7(3-8(5)9)14(10,12)13/h2-3H,1H3
- InChI Key: MMEZJUQPMGHCMJ-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC(C#N)=C1C)S(=O)(=O)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 355
- XLogP3: 2.7
- Topological Polar Surface Area: 66.3
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010012433-250mg |
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride |
1805487-45-9 | 97% | 250mg |
484.80 USD | 2021-05-28 | |
| Alichem | A010012433-500mg |
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride |
1805487-45-9 | 97% | 500mg |
815.00 USD | 2021-05-28 | |
| Alichem | A010012433-1g |
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride |
1805487-45-9 | 97% | 1g |
1,475.10 USD | 2021-05-28 |
3-Bromo-5-cyano-4-methylbenzenesulfonyl chloride Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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