3-Cyano-4-fluorobenzenesulfonyl chloride
Product Specifications
- CAS
- 351003-23-1
- Molecular Formula
- C7H3ClFNO2S
- Appearance
- yellow or brown solid
- Synonym(s)
- 5-(Chlorosulphonyl)-2-fluorobenzonitrile; 3-cyano-4-fluorobenzene-1-sulfonyl chloride; 3-Cyano-4-fluorobenzenesulfonyl chloride；4-Fluoro-3-cyanobenzenesulfonyl chloride
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C1=CC(=C(C=C1S(=O)(=O)Cl)C#N)F
- InChI
- InChI=1S/C7H3ClFNO2S/c8-13(11,12)6-1-2-7(9)5(3-6)4-10/h1-3H
Product Information
3-Cyano-4-fluorobenzenesulfonyl chloride is identified by CAS 351003-23-1, formula C7H3ClFNO2S, and molecular weight 219.62. PubChem maps this CAS to one compound, CID 2778908. The official connectivity appears as SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)C#N)F, with InChIKey KDVZADPGGPBAAK-UHFFFAOYSA-N. This representation describes one covalently connected neutral molecule.
A benzenesulfonyl chloride group anchors the ring numbering in the name. The cyano group occupies position 3 and fluorine lies at adjacent position 4. The nitrile contributes one carbon and one nitrogen; the sulfonyl unit contains sulfur, two oxygens, and the chlorine bonded to sulfur. Fluorine is attached directly to the aromatic ring. These placements account for C7H3ClFNO2S and distinguish the graph from isomers in which cyano or fluoro is moved to another ring position. No stereochemical descriptor is required for the verified structure.
An identity-based inquiry to Rlavie should list CAS 351003-23-1, the complete locanted name, and the requested quantity. Supply a MOL or SDF structure file so the ring substitution pattern and sulfur connection can be compared with PubChem CID 2778908, the stated SMILES, and InChIKey KDVZADPGGPBAAK-UHFFFAOYSA-N. Rlavie can confirm those identifiers before request-specific details are reviewed. It is especially important not to treat “chloride” as a separate chloride salt in this record: the SMILES shows chlorine covalently attached to sulfur within the sulfonyl chloride group.