5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt
Molecular Structure
Pricing & Availability
Specifications
| Catalog No. | RY020191 |
| CAS No. | 1667-99-8 |
| Molecular Formula | - |
| Molecular Weight | - |
| Purity | AR |
| SMILES | O=C([O-])C1=CC(C(C2=C(Cl)C=CC(S(=O)([O-])=O)=C2Cl)=C3C=C(C([O-])=O)C(C(C)=C3)=O)=CC(C)=C1O.[Na+].[Na+].[Na+] |
| MDL Number | MFCD00001615 |
| Category | building-blocks |
| Availability | In Stock |
Synonyms & Alternative Names
Product Description
5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt (CAS 1667-99-8) is a high-quality chemical intermediate offered by Raynchem for pharmaceutical, agrochemical, and material science research. The SMILES notation for 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt is O=C([O-])C1=CC(C(C2=C(Cl)C=CC(S(=O)([O-])=O)=C2Cl)=C3C=C(C([O-])=O)C(C(C)=C3)=O)=CC(C)=C1O.[Na+].[Na+].[Na+], representing its complete molecular connectivity for computational chemistry and cheminformatics applications. Our 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt is available with a guaranteed purity of AR, ensuring consistent and reliable results for your R&D and production needs. Each batch is accompanied by a Certificate of Analysis (COA) verifying identity, purity, and quality. Raynchem provides worldwide fast shipping, competitive pricing, and comprehensive technical support. COA and SDS documents are available upon request. Contact us today for bulk quantities and custom synthesis inquiries.
Applications
- ●Pharmaceutical Intermediate Synthesis: 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt (CAS 1667-99-8) serves as a versatile building block in the synthesis of active pharmaceutical ingredients (APIs), enabling the construction of complex molecular architectures through palladium-catalyzed cross-coupling reactions such as Suzuki, Buchwald-Hartwig, and Heck reactions.
- ●Agrochemical Development: This compound is utilized in the preparation of novel agrochemical agents, including herbicides, insecticides, and fungicides, where its halogenated aromatic structure provides key reactivity for further functionalization.
- ●Material Science Research: 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt is employed in the development of organic electronic materials, coordination polymers, and functional dyes, where its aromatic amine moiety contributes to optoelectronic properties.
- ●Fine Chemical Manufacturing: 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt is suitable for scale-up from milligram to kilogram quantities, supporting both early-stage discovery and late-stage production needs.
Safety & Handling
Hazard Information
- !5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt may cause mild irritation to skin, eyes, and respiratory tract.
- !Handle with standard laboratory precautions.
- !Contains nitrogen — handle as a potential irritant and avoid formation of nitrogen oxides.
Precautionary Measures
- ✓Wear appropriate personal protective equipment (PPE): chemical-resistant gloves, safety goggles, and laboratory coat.
- ✓Work in a well-ventilated fume hood when handling 5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt.
- ✓Avoid direct contact with skin, eyes, and clothing. Do not breathe dust, vapors, or aerosols.
- ✓Wash hands thoroughly after handling. Remove contaminated clothing before reuse.
This information is provided as a general guide. Always consult the Safety Data Sheet (SDS) for complete safety information before handling.
Storage & Stability
- ●5-((3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl)-2-hydroxy-3-methylbenzoic acid, trisodium salt should be stored in a cool, dry place away from direct sunlight and moisture.
- ●Keep the container tightly sealed when not in use to prevent degradation and contamination.
- ●Store separately from incompatible materials such as strong oxidizing agents, acids, and bases.
- ●Under proper storage conditions, the shelf life of this product is typically 24 months from the date of manufacture.