[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate
C21H20N2O6S2
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Identification
- CAS Number
- 232938-43-1
- EC Number
- 432-520-2
- UN Number
- 3077
- Index Number
- 006-099-00-7
- PubChem CID
- 22035425
Physical-chemical properties
- Molecular Formula
- C21H20N2O6S2
- Molar Mass
- 460.50 g/mol
- IUPAC Name
- [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate
Chemical Identifiers
- InChI
- InChI=1S/C21H20N2O6S2/c1-15-6-10-19(11-7-15)30(25,26)23-21(24)22-17-4-3-5-18(14-17)29-31(27,28)20-12-8-16(2)9-13-20/h3-14H,1-2H3,(H2,22,23,24)
- InChI Key
- HEVGMYPGMWZOBU-UHFFFAOYSA-N
Overview
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate (CAS 232938-43-1) is an aromatic sulfonamide compound with dual tosylate functionality and carbamoylamino linkage. This specialized organic compound belongs to the family of sulfonyl carbamide derivatives, characterized by its complex molecular structure featuring two 4-methylbenzenesulfonate groups connected through a carbamoylamino bridge. With a molecular formula of C21H20N2O6S2 and molecular weight of 460.5 g/mol, this substance exhibits distinctive chemical properties derived from its aromatic sulfonamide framework. The compound's structure incorporates multiple functional groups including sulfonyl, carbamoyl, and amino moieties, which contribute to its specific reactivity profile and potential applications. The presence of methylphenyl substituents enhances its stability while maintaining synthetic versatility. Unlike simpler aromatic compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this molecule's dual sulfonyl functionality provides unique coordination possibilities. From a safety perspective, this substance is classified as Aquatic Chronic 2 under GHS regulations, requiring appropriate environmental precautions during handling and disposal. It falls under ADR Class 9 for transportation purposes, indicating it requires standard hazardous material protocols without immediate acute toxicity concerns. Industrial applications typically include its use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. The compound's structural similarity to other carbamide derivatives makes it valuable in developing specialized chemical formulations where controlled reactivity is essential. OYSI maintains regular availability of this technical-grade compound for European industrial customers requiring consistent quality and reliable supply chain management.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Toxic to aquatic life with long lasting effects.
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | N-(p-Toluensulfonyl)-N'-(3-(p-toluensulfonyloxy)phenyl)harnstoff |
| Marine Pollutant | No |
Frequently Asked Questions
What is [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is an organic chemical compound with CAS number 232938-43-1 and molecular formula C21H20N2O6S2. This substance has a molecular weight of 460.5 g/mol and belongs to the class of sulfonamide derivatives. It is classified as having chronic aquatic toxicity (Aquatic Chronic 2) and requires appropriate environmental precautions during handling and disposal.
What are the physicochemical properties of [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is a solid organic compound at room temperature with a molecular weight of 460.5 g/mol. The substance contains sulfur-nitrogen bonds and aromatic ring structures, which influence its stability and solubility characteristics. Specific physical properties such as melting point, color, and solubility depend on the purity grade and should be verified with the supplier's technical data sheet for precise applications.
What is [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate used for?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its sulfonamide structure makes it valuable for developing bioactive compounds and specialty chemicals. The substance may also serve as a research chemical for academic and industrial R&D applications, particularly in medicinal chemistry and materials science where controlled chemical modifications are required.
How to handle [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate safely?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate should be handled with standard laboratory safety equipment including nitrile gloves, safety glasses, and lab coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Due to its Aquatic Chronic 2 classification, prevent environmental release and ensure proper containment. Always consult the Safety Data Sheet before handling and follow your facility's chemical hygiene protocols for organic compounds.
How to store [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate correctly?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in areas with appropriate ventilation and ensure compatibility with other stored chemicals. Due to its environmental classification, implement secondary containment measures to prevent accidental environmental release during storage.
What to do in case of contact with [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate?
In case of skin contact with [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate, immediately wash the affected area with plenty of soap and water. For eye contact, rinse thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the current Safety Data Sheet for complete first aid procedures.
How to dispose of [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate appropriately?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate must be disposed of through licensed hazardous waste disposal facilities due to its Aquatic Chronic 2 classification. Never discharge to drains, soil, or water bodies as this can cause environmental harm. Collect waste in appropriate containers and label according to local regulations. Contact certified waste management companies for proper disposal and follow all applicable national and EU waste regulations including the Waste Framework Directive.
How to transport [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This requires appropriate UN-specification packaging and proper shipping documentation. Transport vehicles must carry appropriate emergency equipment and drivers need ADR certification. Packages must be properly labeled with GHS09 environmental hazard pictogram and relevant hazard information according to ADR regulations.
Is [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate subject to specific regulations?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is subject to standard EU chemical regulations including REACH and CLP classifications. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental protection requirements due to its Aquatic Chronic 2 classification, and proper waste disposal regulations. Always verify current regulatory status as classifications may be updated periodically.
Where to buy [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate in Europe?
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is available through OYSI, a leading European distributor of specialty chemicals and intermediates. OYSI provides reliable supply chain solutions across Europe with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI's technical sales team for availability, specifications, and pricing information. They can also provide guidance on handling, storage, and regulatory requirements for your specific application needs.
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[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.