(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
C15H18N4O7S
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Identification
- CAS Number
- 126801-58-9
- UN Number
- 3077
- Index Number
- 016-082-00-6
- PubChem CID
- 3623881
Physical-chemical properties
- Molecular Formula
- C15H18N4O7S
- Molar Mass
- 398.40 g/mol
- IUPAC Name
- (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
Chemical Identifiers
- InChI
- InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)
- InChI Key
- UWVKRNOCDUPIDM-UHFFFAOYSA-N
Overview
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate (CAS 126801-58-9) is a sulfamate-based organic compound with aquatic toxicity hazard classification and specialized industrial applications. This complex organic molecule features a unique structural combination of ethoxyphenyl and dimethoxypyrimidin groups linked through a carbamoylsulfamate bridge, resulting in a molecular formula of C15H18N4O7S with a molecular weight of 398.4 g/mol. The compound belongs to the sulfamate family of chemicals, which are characterized by their sulfur-nitrogen bonding patterns and diverse industrial utility. Unlike simpler organic compounds such as copper(1+) thiocyanate, this sulfamate derivative exhibits more complex molecular interactions due to its heterocyclic pyrimidine component. The primary safety considerations for this substance center on its environmental impact, as indicated by its Aquatic Acute 1 and Aquatic Chronic 1 hazard classifications under the GHS system. The compound carries a Warning signal word and displays the GHS09 pictogram, emphasizing its potential environmental dangers. For transportation purposes, it falls under ADR Class 9 miscellaneous dangerous goods, requiring appropriate handling protocols during shipping and storage. Industrial applications of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate typically include specialized chemical synthesis processes, pharmaceutical intermediate production, and advanced material formulations where its unique structural properties provide specific reactivity patterns. The compound may also find use in research and development applications requiring precise molecular architectures. OYSI maintains reliable supply chains for this specialized sulfamate compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.
Safety & Classification
Aquatic Acute 1; Aquatic Chronic 1
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Ethoxysulfuron |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is a synthetic organic compound with the molecular formula C15H18N4O7S and CAS number 126801-58-9. This sulfamate derivative has a molecular weight of 398.4 g/mol and contains both ethoxyphenyl and dimethoxypyrimidinyl functional groups. It is classified as hazardous to aquatic environments and requires careful handling in industrial applications.
What are the physicochemical properties of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is a complex organic molecule with a molecular weight of 398.4 g/mol. The compound contains multiple functional groups including ether, carbamoyl, and sulfamate moieties. Its chemical structure suggests moderate polarity due to the presence of oxygen and nitrogen atoms. Specific physical properties such as melting point, boiling point, and solubility data require consultation of detailed technical specifications.
What is (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate used for?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing pyrimidine and sulfamate groups makes it valuable for developing bioactive compounds. The substance serves as a building block in organic synthesis processes and may be utilized in research applications for developing new chemical entities with specific biological activities.
How to safely handle (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate requires standard laboratory safety precautions during handling. Wear appropriate personal protective equipment including safety goggles, gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct contact with skin and eyes. Given its aquatic toxicity classification, prevent environmental release and follow proper containment procedures during use.
How to properly store (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate should be stored in tightly sealed containers in a cool, dry place away from direct sunlight. Keep the substance in its original packaging and maintain proper labeling. Store separately from incompatible materials and ensure adequate ventilation in storage areas. Given its environmental hazard classification, implement containment measures to prevent accidental release and contamination of water sources.
What to do in case of contact with (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
In case of skin contact with (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate, immediately wash the affected area with plenty of soap and water. For eye contact, rinse thoroughly with clean 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 safety data sheet for complete first aid procedures.
How to properly dispose of (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate must be disposed of according to local and national hazardous waste regulations. Due to its aquatic toxicity classification, it cannot be discharged into water systems or regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Ensure all containers are properly labeled and documented according to waste tracking requirements before disposal.
How to transport (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is classified as ADR Class 9, Packing Group III for transportation purposes. This indicates it is a miscellaneous dangerous substance with relatively low hazard during transport. Packages must comply with UN packaging requirements and bear appropriate hazard labels including the GHS09 pictogram. Ensure proper documentation accompanies shipments and follow international dangerous goods regulations for safe transport.
Is (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate subject to specific regulations?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification. The substance is not currently identified as a Substance of Very High Concern (SVHC). However, its aquatic toxicity classification requires compliance with environmental protection measures and proper risk assessment procedures. Users must follow occupational safety guidelines and environmental discharge restrictions.
Where to buy (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate in Europe?
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate is available through OYSI, a European distributor of specialty chemicals. OYSI provides reliable supply chains for research and industrial customers across Europe. Contact OYSI directly for availability, technical specifications, and regulatory documentation. As a specialized chemical intermediate, this compound may require minimum order quantities and lead times for procurement from certified suppliers.
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ADR Consulting for (2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate
(2-ethoxyphenyl) N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate 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.