Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate
C10H12ClNO6S2
methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate
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Identification
- CAS Number
- 393509-79-0
- EC Number
- 443-120-2
- UN Number
- 3261
- Index Number
- 607-664-00-6
- PubChem CID
- 22494947
Physical-chemical properties
- Molecular Formula
- C10H12ClNO6S2
- Molar Mass
- 341.80 g/mol
- IUPAC Name
- methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate
Chemical Identifiers
- InChI
- InChI=1S/C10H12ClNO6S2/c1-18-10(13)8-4-3-7(6-12-19(2,14)15)5-9(8)20(11,16)17/h3-5,12H,6H2,1-2H3
- InChI Key
- NPMBYJAYDLKLCX-UHFFFAOYSA-N
Overview
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate (CAS 393509-79-0) is a specialized sulfonyl chloride derivative with dual sulfonyl functional groups and ester functionality. This complex aromatic compound represents an important class of multifunctional synthetic intermediates widely utilized in pharmaceutical and fine chemical manufacturing. With its molecular formula C10H12ClNO6S2 and molecular weight of 341.8 g/mol, this benzoate derivative features a unique combination of reactive functional groups including a chlorosulfonyl moiety, a methanesulfonamidomethyl substituent, and a methyl ester group. The presence of these multiple reactive sites makes it particularly valuable for advanced organic synthesis applications where selective functionalization is required. The compound exhibits significant safety considerations, classified under GHS pictograms GHS05 and GHS09 with the signal word "Danger." It poses serious eye damage risks (Eye Dam. 1) and presents chronic aquatic toxicity concerns (Aquatic Chronic 2). As a Class 8 ADR substance, it requires careful handling protocols and appropriate storage conditions to prevent degradation and ensure operator safety. The chlorosulfonyl functionality makes it highly reactive toward nucleophiles, demanding moisture-free storage environments. Primary industrial applications include pharmaceutical intermediate synthesis, where its multi-functional nature allows for complex molecular construction, agrochemical development, and specialty polymer synthesis. Unlike simpler compounds such as 2-(phosphonomethylamino)acetic acid, this molecule offers greater synthetic versatility through its combination of electrophilic and nucleophilic sites. The compound also finds application in research and development of advanced materials where controlled reactivity patterns are essential. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European manufacturers with consistent quality and regulatory compliance documentation.
Safety & Classification
Eye Dam. 1; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3261 |
| ADR Class | 8 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Methyl-2-chlorsulfonyl-4-(methansulfonylaminomethyl)benzoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is a specialized organic compound with the molecular formula C10H12ClNO6S2 and CAS number 393509-79-0. This chemical features a benzoate ester backbone with chlorosulfonyl and methanesulfonamidomethyl substituents, giving it unique reactivity properties. With a molecular weight of 341.8 g/mol, it belongs to the class of sulfonyl chlorides and is classified as hazardous due to its potential for severe eye damage and chronic aquatic toxicity.
What are the physicochemical properties of methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is an organic solid compound with a molecular weight of 341.8 g/mol. The presence of both hydrophilic sulfonyl groups and hydrophobic aromatic structures suggests limited water solubility. The chlorosulfonyl functional group makes it highly reactive toward nucleophiles, particularly water and alcohols. The compound's stability and exact physical appearance depend on storage conditions and purity, but it should be handled as a moisture-sensitive material due to the reactive chlorosulfonyl group.
What is methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate used for?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. The chlorosulfonyl group serves as a reactive handle for introducing sulfonamide linkages, making it valuable in drug development. It may also find applications in the synthesis of specialty polymers, agrochemicals, or as a building block for more complex organic molecules. Its dual functionality allows for selective chemical modifications in multi-step synthetic processes.
How to handle methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate safely?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate must be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing due to its Eye Dam. 1 classification. Work should be conducted in a well-ventilated area or under a fume hood to prevent inhalation exposure. Avoid contact with water or moisture as the chlorosulfonyl group is highly reactive. Use non-sparking tools and ensure proper grounding when handling to prevent static discharge.
How to store methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate correctly?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate should be stored in a cool, dry place away from moisture and incompatible materials. The container must be tightly sealed and made of compatible materials resistant to corrosion. Keep away from water, alcohols, amines, and other nucleophilic substances that can react with the chlorosulfonyl group. Store in a well-ventilated area away from heat sources and direct sunlight. Ensure proper labeling with hazard symbols and maintain an inventory record for regulatory compliance.
What to do in case of contact with methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Immediate action is required in case of contact with methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate due to its severe eye damage potential. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek immediate medical attention. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. If inhaled, move to fresh air and seek medical advice if symptoms persist. Never induce vomiting if ingested; rinse mouth and seek immediate medical attention while providing the safety data sheet to medical personnel.
How to dispose of methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate properly?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate must be disposed of through authorized hazardous waste disposal services in accordance with local and European regulations. The substance cannot be discharged to sewers or the environment due to its aquatic toxicity classification. Contaminated containers and materials should be treated as hazardous waste. Small quantities may require neutralization under controlled conditions before disposal, but this should only be performed by qualified personnel. Always consult local environmental authorities for specific disposal requirements.
How to transport methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is classified as ADR Class 8 (corrosive substances), Packing Group III for transportation purposes. It must be packaged in UN-approved containers with appropriate markings and labels including the corrosive hazard symbol (GHS05). Transport documents must include the proper shipping name, UN number, and hazard class. Vehicles must carry appropriate emergency equipment and drivers require ADR certification. Ensure packages are secured to prevent damage during transit and avoid exposure to moisture or extreme temperatures.
Is methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate subject to specific regulations?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is subject to various European chemical regulations including CLP for classification and labeling, requiring Danger signal word and GHS05/GHS09 pictograms. REACH registration may be required depending on import/manufacturing volumes. It is not currently listed as a Substance of Very High Concern (SVHC). Transport is regulated under ADR as a Class 8 corrosive substance. Users must maintain safety data sheets and ensure compliance with workplace safety regulations including appropriate risk assessments and worker protection measures.
Where to buy methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate in Europe?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to pharmaceutical companies, research institutions, and fine chemical manufacturers across Europe with proper documentation including certificates of analysis and safety data sheets. As a regulated substance requiring specialized handling and storage, it is typically available through established chemical supply chains with appropriate hazardous material handling capabilities and regulatory compliance support.
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Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate 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.