Cymoxanil - analytical standard, ≥98.5% , CAS No.57966-95-7

CAS: 57966-95-7 Cat. No.: C110029 分子式: C₇H₁₀N₄O₃ 分子量: 198.18 EC番号: 261-043-0

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide | Cymoxanil, certified reference material, TraceCERT(R) | INT-3217-49 | DTXSID6032358 | alpha -pipecolin | Cymoxanil [ISO] | EINECS 261-043-0 | Acetamide, 2-cyano-N-((ethylamino)carbonyl)-2-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxo-acetimidoyl cyanide | Cymoxanil, certified reference material, TraceCERT(R) | INT-3217-49 | DTXSID6032358 | alpha -pipecolin | Cymoxanil [ISO] | EINECS 261-043-0 | Acetamide, 2-cyano-N-((ethylamino)carbonyl)-2-

仕様と純度

analytical standard, ≥98.5%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥98.5%

名前と識別子

パブケム・シド

504763727

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763727

カノニカル・スマイル

CCNC(=O)NC(=O)C(=NOC)C#N

IUPAC Name

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

InChIKey

XERJKGMBORTKEO-VZUCSPMQSA-N

INCHI

1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+

異性体SMILES

CCNC(=O)NC(=O)/C(=N/OC)/C#N

分子量

198.18

Reaxy-Rn

2214017

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214017&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxime ethers
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Oxime ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Carboximidic acid derivative - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as oxime ethers. These are compounds containing the oxime ether functional group, with the general structure R1(R2)C=NOR3 ( R3 not H).
• External Descriptors: Aliphatic nitrogen fungicides

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

関連ターゲット（非人間）

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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（°C）: 100°C
• 融点（°C）: 160-161℃
• 分子量: 198.180 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 198.075 Da
• Monoisotopic Mass: 198.075 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 301.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

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 is the purity of this product?

This product is supplied at ≥98.5% 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.

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

The CAS Number is 57966-95-7, the molecular formula is C7H10N4O3, and the molecular weight is 198.18 g/mol. InChIKey XERJKGMBORTKEO-VZUCSPMQSA-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.