[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate

C21H20N2O6S2

CAS232938-43-1
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 organic sulfonamide compound with dual tosylate functionality and moderate aquatic toxicity concerns. This specialized chemical compound features a complex molecular structure containing two 4-methylbenzenesulfonate groups linked through a carbamoylamino bridge, resulting in a molecular weight of 460.5 g/mol and the formula C21H20N2O6S2. The presence of dual tosylate moieties makes this substance particularly valuable in organic synthesis applications where selective functionalization or protection of reactive sites is required. From a safety perspective, this compound is classified under ADR Class 9 miscellaneous dangerous substances and carries an Aquatic Chronic 2 hazard classification with the GHS09 environmental pictogram. While it presents no immediate acute toxicity concerns to humans, its potential for long-term aquatic environmental impact requires careful handling and disposal protocols. The compound's sulfonamide structure shares certain characteristics with other industrial chemicals like N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, which also features aromatic functionality combined with nitrogen-containing groups. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, particularly in the development of sulfonamide-based therapeutics, as a specialty reagent in advanced organic chemistry research, and as a building block for complex molecular architectures in materials science. The dual tosylate functionality makes it especially suitable for cross-linking reactions and polymer modifications. Similar to compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this substance requires specialized handling expertise and proper storage conditions to maintain its chemical integrity and ensure safe usage. OYSI provides this specialized compound to qualified industrial customers across Europe with full regulatory documentation and technical support.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameN-(p-Toluensulfonyl)-N'-(3-(p-toluensulfonyloxy)phenyl)harnstoff
Marine PollutantNo

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 the molecular formula C21H20N2O6S2 and CAS number 232938-43-1. This compound has a molecular weight of 460.5 g/mol and contains two sulfonyl groups connected through a carbamoylamino bridge. It belongs to the class of aromatic sulfonates and is classified as having chronic aquatic toxicity (Aquatic Chronic 2).

What are the physicochemical properties of [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate?

[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is a complex organic molecule with a molecular weight of 460.5 g/mol. As an aromatic sulfonate compound, it typically presents as a solid at room temperature. The presence of multiple aromatic rings and sulfonate groups influences its solubility characteristics. Specific physical properties such as melting point, color, and exact solubility data should be verified through technical documentation or analytical testing.

What is [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate used for?

[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is primarily used in specialized chemical applications and research. Given its complex aromatic structure with sulfonate and carbamoylamino functionalities, it may serve as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, or as a reagent in organic chemistry research. Its specific applications depend on the unique reactivity profile provided by its dual sulfonate groups and bridging structure.

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 precautions. Wear appropriate personal protective equipment including safety glasses, gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Given its Aquatic Chronic 2 classification, prevent environmental release. Follow good chemical hygiene practices, avoid direct contact with skin and eyes, and wash hands thoroughly after handling.

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, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled. Store away from heat sources, direct sunlight, and moisture. Given its environmental classification (Aquatic Chronic 2), ensure secondary containment to prevent environmental contamination. Maintain storage temperature according to supplier specifications and segregate from incompatible chemicals as indicated in the safety data sheet.

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 with plenty of soap and water. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse. Always consult the 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 according to local, national, and international environmental regulations. Due to its Aquatic Chronic 2 classification, it requires proper hazardous waste disposal through licensed waste management companies. Do not discharge into sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved waste disposal facilities.

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. This classification requires appropriate packaging, labeling, and documentation for transport. Packages must bear the GHS09 environmental hazard pictogram and proper shipping names. Transport should comply with ADR regulations including driver training requirements, vehicle specifications, and emergency response procedures. Ensure proper segregation from incompatible materials during transportation.

Is [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate subject to particular regulations?

[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is subject to standard European chemical regulations including REACH and CLP. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be classified and labeled according to CLP regulation with the GHS09 pictogram for environmental hazards. Users must comply with REACH obligations for registration, evaluation, and safe use. Additional sector-specific regulations may apply depending on the intended use.

Where to buy [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate in Europe?

[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] 4-methylbenzenesulfonate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical companies across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for specialized chemical products. Contact OYSI directly for availability, specifications, technical support, and pricing information for your specific application requirements.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.