Pyrazosulfuron-ethyl - analytical standard, ≥98% , CAS No.93697-74-6

CAS: 93697-74-6 Cat. No.: P140866 分子式: C₁₄H₁₈N₆O₇S 分子量: 414.39 Beilstein Registry Number: 8442639 EC番号: 618-964-1 PubChem CID: 91750

グレード＆純度 Analytical standard, ≥98%

Synonyms

N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide|N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfon-amide|N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide|tert-Butyl 4-(3-hydroxypropyl)tetrahydropyridine-1(2H)-carboxylate|Ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl]-1-methyl-1H-pyrazole- 4-carboxylate|Pyrazosulfuron ethyl|Ethyl 5-(N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-1-methyl-1H-pyrazole-4-carboxylate|ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate|ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate|N-[[4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide|3-Amino-4-cyanotoluene|Sirius|Pyrazosulfuron-ethyl|Cambridge id 5314481|NC-311|Pyrazosulfuron-ethyl [ISO:BSI]|Ethyl 5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate|Thiourea, N,N'-bis(1,1-dimethylethyl)-|1H-Pyrazole-4-carboxylic acid, 5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, ethyl ester|1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, ethyl ester|Agreen

Storage

Room temperature

Shipped In

Normal

仕様

同義語

N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide | N-[(4,6-dimethoxypyrimidin-2-yl)amino-carbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfon-amide | N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-4-ethoxycarbonyl-1-methylpyrazole-5-sulfonamide | tert-Butyl 4-(3-hydroxypropyl)tetrahydropyridi もっと見る

仕様と純度

analytical standard, ≥98%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥98%

名前と識別子

パブケム・シド

504756089

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756089

カノニカル・スマイル

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

InChIKey

BGNQYGRXEXDAIQ-UHFFFAOYSA-N

INCHI

1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)

異性体SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGKドイツ

1

RTECS

UQ6393970

PubChem CID

91750

分子量

414.39

Beilstein

8442639

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Vinylogous amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Carboximidic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
• 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

• 引火点（°F）: > 170 °C
• 引火点（°C）: >170°C
• 融点（°C）: 181-182°C
• 分子量: 414.400 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 414.096 Da
• Monoisotopic Mass: 414.096 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 645.000
• 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 ≥98% 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 93697-74-6, the molecular formula is C14H18N6O7S, and the molecular weight is 414.39 g/mol. InChIKey BGNQYGRXEXDAIQ-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.