Pyrazosulfuron - analytical standard, ≥99% , CAS No.98389-04-9

CAS: 98389-04-9 Cat. No.: P109900 分子式: C₁₂H₁₄N₆O₇S 分子量: 386.34

グレード＆純度 Analytical standard, ≥99%

Synonyms

5-(4,6-dimethoxy-2-pyrimidinylaminocarbonylsulfamoyl)-1-methyl-1h-pyrazole-4-carboxylic acid|5-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid; Pyrazosulfuron|1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-|Pyrazosulfuron [ISO]|5-(((((4,6-DIMETHOXY-2-PYRIMIDINYL)AMINO)CARBONYL)AMINO)SULFONYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID|Pyrazosulfuron [ISO:BSI]|Pyrazosulfuron|JV6|5-((4,6-DIMETHOXYPYRIMIDIN-2-YLCARBAMOYL)SULFAMOYL)-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID|5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid|5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid|1H-Pyrazole-4-carboxylic acid,5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-|5-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-1-methylpyrazole-4-carboxylic acid

Storage

Room temperature

Shipped In

Normal

仕様

同義語

5-(4,6-dimethoxy-2-pyrimidinylaminocarbonylsulfamoyl)-1-methyl-1h-pyrazole-4-carboxylic acid | 5-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid; Pyrazosulfuron | 1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl- | Pyrazosulfuro もっと見る

仕様と純度

analytical standard, ≥99%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99%

名前と識別子

カノニカル・スマイル

CN1C(=C(C=N1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylic acid

InChIKey

VXMNDQDDWDDKOQ-UHFFFAOYSA-N

INCHI

1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)

異性体SMILES

CN1C(=C(C=N1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

分子量

386.34

Reaxy-Rn

9079590

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9079590&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Sulfonylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidinyl-2-sulfonylureas
• Alternative Parents: Pyrazole carboxylic acids and derivatives Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Vinylogous amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl-2-sulfonylurea - Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
• External Descriptors: Sulfonylurea herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 181-182°C
• 分子量: 386.340 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 386.064 Da
• Monoisotopic Mass: 386.064 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 614.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98389-04-9, the molecular formula is C12H14N6O7S, and the molecular weight is 386.34 g/mol. InChIKey VXMNDQDDWDDKOQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.