Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

C16H18N4O7S

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate

CAS83055-99-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 featuring pyrimidine and benzoate functional groups with sulfamoyl linkage. This specialized chemical compound belongs to the family of sulfonylurea derivatives, characterized by its distinctive molecular structure combining a substituted pyrimidine ring with a methylbenzoate moiety connected through a carbamoylsulfamoyl bridge. With a molecular formula of C16H18N4O7S and molecular weight of 410.4 g/mol, this substance exhibits unique chemical properties that make it valuable in various industrial applications. The compound is classified under ADR Class 9 (miscellaneous dangerous substances) and carries GHS pictograms GHS07 and GHS09, indicating potential skin sensitization properties and aquatic toxicity concerns. Safety protocols require careful handling due to its Skin Sens. 1 classification and Aquatic Chronic 2 environmental impact rating. The "Warning" signal word emphasizes the need for appropriate personal protective equipment and environmental precautions during handling and storage. The methoxy-substituted pyrimidine structure distinguishes this compound from related substances such as 2,4-dihydroxy-N-(2-methoxyphenyl)benzamide, which shares similar aromatic characteristics but differs in functional group positioning. Unlike simpler compounds such as ethyl 6,8-dichlorooctanoate, this molecule's complex architecture enables specific molecular interactions essential for its technical applications. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agrochemical formulation, and specialized organic synthesis processes. The compound's unique structural features make it particularly valuable in the development of bioactive molecules and advanced chemical intermediates. OYSI provides this technical-grade chemical compound to qualified industrial customers across Europe, supporting various research and manufacturing applications.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBensulfuron-methyl
Marine PollutantNo

Frequently Asked Questions

What is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?

Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is a complex organic compound with the molecular formula C16H18N4O7S and CAS number 83055-99-6. This chemical substance has a molecular weight of 410.4 g/mol and features a pyrimidine ring structure combined with a benzoate ester group. 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 exhibits specific physicochemical characteristics determined by its molecular structure. The compound contains sulfur, nitrogen, and oxygen functional groups that influence its polarity and solubility behavior. With a molecular weight of 410.4 g/mol, it represents a moderately sized organic molecule. The presence of methoxy groups and the ester functionality contribute to its chemical reactivity and stability profile under normal conditions.

What is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate used for?

Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate serves as an intermediate compound in chemical synthesis and pharmaceutical research applications. The pyrimidine-containing structure suggests potential use in agrochemical or pharmaceutical development processes. Its complex molecular framework makes it valuable for specialized chemical manufacturing where specific functional group combinations are required. Industrial applications typically involve its use as a building block for more complex molecular structures.

How to handle methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate safely?

Safe handling of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate requires appropriate personal protective equipment due to its skin sensitization properties. Workers must wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Adequate ventilation is essential to minimize inhalation exposure. The substance carries GHS07 and GHS09 pictograms, indicating health and environmental hazards that necessitate careful handling procedures and emergency response preparedness.

How to store methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate correctly?

Proper storage of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate requires a cool, dry environment away from direct sunlight and heat sources. The substance should be kept in tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Storage areas must be well-ventilated and equipped with appropriate spill containment measures. Given its aquatic toxicity classification, storage facilities should prevent environmental release through proper secondary containment systems.

What to do in case of contact with methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?

Immediate first aid for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate contact involves prompt decontamination procedures. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush thoroughly with clean water and seek medical attention. If inhaled, move the person to fresh air immediately. Due to its skin sensitization properties, medical consultation is recommended for any significant exposure incidents.

How to dispose of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate appropriately?

Appropriate disposal of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate must comply with local and European waste management regulations. The substance requires treatment as hazardous chemical waste due to its classification as a skin sensitizer and aquatic chronic toxin. Disposal should only be performed by licensed waste management companies equipped to handle such materials. Incineration at authorized high-temperature facilities represents the most suitable disposal method for this type of organic compound.

How to transport methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate?

Transportation of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate follows ADR Class 9 regulations as a miscellaneous dangerous substance in Packing Group III. This classification requires appropriate packaging, labeling, and documentation for road transport. Containers must meet UN specification standards and display proper hazard labels including GHS07 and GHS09 pictograms. Transport vehicles need suitable emergency equipment and drivers require ADR certification for handling Class 9 materials.

Is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate subject to specific regulations?

Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is subject to European REACH and CLP regulations governing chemical substances. While not currently identified as a Substance of Very High Concern (SVHC), it requires classification and labeling according to its hazard properties. The substance must comply with safety data sheet requirements and registration obligations. Users must follow occupational exposure limits and environmental protection measures as specified in relevant European chemical safety legislation.

Where to buy methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate in Europe?

Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers across Europe with complete regulatory documentation and safety data sheets. As a professional chemical supplier, OYSI ensures product quality and regulatory compliance for specialized organic compounds. Contact OYSI directly for availability, specifications, and technical support regarding this specific chemical substance.

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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.

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Data Sources

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