Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
C16H18N4O7S
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
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Identification
- CAS Number
- 83055-99-6
- EC Number
- 401-340-6
- UN Number
- 3077
- Index Number
- 607-178-00-4
- PubChem CID
- 54960
Physical-chemical properties
- Molecular Formula
- C16H18N4O7S
- Molar Mass
- 410.40 g/mol
- IUPAC Name
- methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
Chemical Identifiers
- InChI
- InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
- InChI Key
- XMQFTWRPUQYINF-UHFFFAOYSA-N
Overview
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate (CAS 83055-99-6) is a complex organic compound with sulfonylurea functionality used in specialized chemical applications. This specialized chemical compound, with the molecular formula C16H18N4O7S and molecular weight of 410.4 g/mol, represents an important class of sulfonylurea derivatives. The molecule features a distinctive pyrimidine ring system substituted with methoxy groups, connected through a carbamoylsulfamoyl linker to a methylated benzoate structure. This sophisticated architecture provides unique chemical properties that make it valuable for specific industrial applications. From a safety perspective, this compound is classified under GHS with Warning signal word and requires careful handling protocols. It presents skin sensitization hazards (Skin Sens. 1) and poses chronic aquatic toxicity concerns (Aquatic Chronic 2), as indicated by the GHS07 and GHS09 pictograms. The ADR classification as Class 9 (miscellaneous dangerous substances) necessitates appropriate transportation and storage procedures to ensure safe handling throughout the supply chain. The compound's unique structural features, particularly the pyrimidine-benzoate framework, distinguish it from simpler organic molecules like 2-phenylsulfanylaniline, though both share aromatic characteristics important for specific chemical transformations. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialized agrochemical formulations, and as a reagent in organic synthesis processes where the sulfonylurea functionality provides selective reactivity. Similar to other complex organic compounds such as 2,4-dihydroxy-N-(2-methoxyphenyl)benzamide, this material requires expertise in handling and application to achieve optimal results. OYSI provides reliable access to this specialized chemical compound for European industrial customers requiring consistent quality and technical support.
Safety & Classification
Skin Sens. 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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Bensulfuron-methyl |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is an organic chemical compound with the molecular formula C16H18N4O7S and CAS number 83055-99-6. This complex molecule has a molecular weight of 410.4 g/mol and contains pyrimidine, benzoate, and sulfamoyl functional groups. It is classified as a skin sensitizer and poses chronic aquatic toxicity risks, requiring careful handling in industrial applications.
What are the physicochemical properties of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is a solid organic compound with a molecular weight of 410.4 g/mol. The compound contains multiple functional groups including methoxy, pyrimidine, carbamoyl, sulfamoyl, and benzoate moieties. Its complex structure suggests limited water solubility due to the aromatic components, though the presence of polar groups may provide some degree of polarity for solubility in organic solvents.
What is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate used for?
Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing pyrimidine and sulfamoyl groups makes it valuable for developing bioactive compounds. The molecule serves as a building block in organic synthesis processes, particularly in the production of specialized chemicals requiring these specific functional group combinations in research and industrial applications.
How to handle methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate safely?
Safe handling requires appropriate personal protective equipment due to its skin sensitization properties (Skin Sens. 1 classification). Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Ensure adequate ventilation in work areas and avoid generating dust or aerosols. Handle in well-ventilated areas or under local exhaust ventilation. Wash hands thoroughly after handling and before eating or drinking to prevent sensitization reactions.
How to store methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate correctly?
Store methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled in accordance with GHS requirements. Store away from oxidizing agents and strong bases due to the presence of sulfamoyl groups. Ensure storage areas are equipped with appropriate spill containment measures and maintain temperatures within manufacturer specifications.
What to do in case of contact with methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?
Immediate skin contact requires thorough washing with soap and water for at least 15 minutes, removing contaminated clothing. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Due to its skin sensitization properties, monitor for allergic reactions and seek medical attention if symptoms develop. Do not induce vomiting if ingested; rinse mouth and seek immediate medical attention.
How to dispose of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate properly?
Disposal must comply with local and national hazardous waste regulations due to its classification as a skin sensitizer and aquatic chronic toxicant. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil due to environmental hazard classification (GHS09). Small quantities may require incineration at appropriate high-temperature facilities. Contaminated packaging should be treated as hazardous waste and disposed of accordingly.
How to transport methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?
Transportation follows ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III requirements. Use appropriate UN-specification packaging with proper hazard labels and documentation. Packages must display GHS07 and GHS09 pictograms with 'Warning' signal word. Ensure transport vehicles are properly placarded and drivers hold appropriate dangerous goods training certificates. Follow international shipping regulations for air, sea, or road transport of Class 9 materials.
Is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate subject to specific regulations?
The compound is subject to CLP regulation due to its Skin Sens. 1 and Aquatic Chronic 2 classifications, requiring appropriate labeling with GHS07 and GHS09 pictograms. It falls under REACH regulation for registration and authorization in the European Union. The substance is not currently identified as an SVHC (Substance of Very High Concern). Transport regulations apply under ADR Class 9, and workplace exposure limits may apply depending on national occupational health legislation.
Where to buy methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate in Europe?
OYSI serves as a reliable European distributor for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate, offering technical-grade chemicals to industrial customers across Europe. As a specialized chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements. Professional customers can access this compound through OYSI's established European distribution network.
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Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]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.