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 an organosulfur compound featuring both chlorosulfonyl and methanesulfonamide functional groups. This specialized chemical compound represents a sophisticated benzoate derivative with dual sulfonyl functionalities, making it particularly valuable in advanced synthetic chemistry applications. With its molecular formula C10H12ClNO6S2 and molecular weight of 341.8 g/mol, this compound exhibits unique reactivity patterns due to the presence of both an electrophilic chlorosulfonyl group and a nucleophilic methanesulfonamidomethyl substituent on the benzene ring. The compound's structure incorporates a methyl ester functionality combined with sulfonyl chemistry, positioning it within a family of reactive intermediates used in pharmaceutical and fine chemical synthesis. Unlike simpler compounds such as 2-(phosphonomethylamino)acetic acid, this benzoate derivative offers enhanced synthetic versatility through its multiple reactive sites. Safety considerations are paramount when handling this material, as it carries Eye Dam. 1 classification indicating severe eye damage potential, along with Aquatic Chronic 2 environmental hazard designation. The ADR Class 8 classification confirms its corrosive nature, requiring appropriate personal protective equipment and containment procedures during use. Primary industrial applications include pharmaceutical intermediate synthesis, where the chlorosulfonyl group serves as an excellent leaving group for nucleophilic substitution reactions. The compound also finds use in agrochemical manufacturing and specialty polymer synthesis, where controlled reactivity is essential for producing complex molecular architectures. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality organosulfur intermediates for their manufacturing processes.
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 structure with chlorosulfonyl and methanesulfonamidomethyl functional groups, giving it unique reactivity properties. With a molecular weight of 341.8 g/mol, it belongs to the class of sulfonyl compounds used in advanced chemical synthesis and pharmaceutical intermediates.
What are the physicochemical properties of methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is a solid compound at room temperature with a molecular weight of 341.8 g/mol. The presence of multiple polar functional groups including sulfonyl, ester, and amide groups suggests moderate to good solubility in polar organic solvents. The chlorosulfonyl group makes it reactive toward nucleophiles, while the aromatic benzoate structure provides stability. Specific physical properties should be confirmed through technical documentation.
What is methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate used for?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. The reactive chlorosulfonyl group makes it valuable for introducing sulfonamide functionalities into target molecules. It serves as a building block in the production of bioactive compounds, particularly in medicinal chemistry applications where sulfonamide derivatives are required. The compound is typically used in controlled laboratory and industrial synthesis processes.
How to handle methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate safely?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate requires careful handling due to its Eye Dam. 1 classification. Essential PPE includes chemical-resistant gloves, safety goggles or face shield, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods. Avoid contact with water as chlorosulfonyl groups can hydrolyze. Emergency eyewash stations should be readily accessible, and personnel should be trained in proper handling procedures.
How to store methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate correctly?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate should be stored in tightly sealed containers in a cool, dry place away from moisture and incompatible materials. Keep away from bases, alcohols, and water due to the reactive chlorosulfonyl group. Storage areas should be well-ventilated and protected from direct sunlight. Containers should be clearly labeled with appropriate hazard information. Regular inspection of container integrity is recommended to prevent exposure and environmental contamination.
What to do in case of contact with methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate?
Immediate action is critical due to the Eye Dam. 1 classification of methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes and seek immediate medical attention. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of inhalation, move to fresh air immediately. Do not induce vomiting if ingested. Always seek professional medical advice after any exposure incident.
How to dispose of methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate properly?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate must be disposed of as hazardous chemical waste through licensed waste management companies. Due to its Aquatic Chronic 2 classification, prevent release to water systems and soil. Small quantities can be neutralized carefully under controlled conditions before disposal. Follow local and national regulations including EU waste framework directive. Container disposal should also follow hazardous waste protocols. Maintain proper documentation of all disposal activities for regulatory compliance.
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 transport purposes. It requires appropriate UN-specification packaging and proper hazard labeling including corrosive and environmental hazard markings. Transport documents must include correct shipping names and hazard classifications. Vehicles should carry appropriate emergency response information. Only trained personnel should handle transportation, and emergency response equipment should be available during transit.
Is methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate subject to specific regulations?
Methyl 2-chlorosulfonyl-4-(methanesulfonamidomethyl)benzoate falls under EU CLP regulation due to its Eye Dam. 1 and Aquatic Chronic 2 classifications, requiring appropriate labeling with GHS05 and GHS09 pictograms. It is subject to REACH registration requirements for manufacturing or import above one tonne annually. The compound is not currently listed as SVHC. Users must comply with occupational exposure limits, environmental protection measures, and proper classification and labeling requirements throughout the supply chain.
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 with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation according to ADR regulations. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.