Admire - ≥97% , CAS No.105827-78-9

CAS: 105827-78-9 Cat. No.: A302148 分子式: C₉H₁₀ClN₅O₂ 分子量: 255.67 EC番号: 600-683-0

GRADE & PURITY ≥97%

Synonyms

105827-78-9|N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide|N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide|1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine|IMIDACLOPRID [MI]|IMIDACLOPR

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

同義語

105827-78-9 | N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide | N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide | 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine | IMIDACLOPRID [MI] | IMIDACLOPR

仕様と純度

≥97%

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488186358
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186358
• カノニカル・スマイル: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
• IUPAC Name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
• InChIKey: YWTYJOPNNQFBPC-UHFFFAOYSA-N
• INCHI: 1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
• 異性体SMILES: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
• 分子量: 255.67
• Reaxy-Rn: 8146661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8146661&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroguanidines
• Alternative Parents: 2-halopyridines Aryl chlorides Nitramines Imidazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroguanidine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - 2-imidazoline - Nitramine - Heteroaromatic compound - Organic nitro compound - Azacycle - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organochloride - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
• External Descriptors: Neonicotinoid insecticides

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

化学的性質と物理的性質

• 感度: Air sensitive
• 融点（°C）: 136-144°C
• 分子量: 255.660 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.052 Da
• Monoisotopic Mass: 255.052 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 319.000
• 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

参考文献

1. Hailan Qin, Jingyu Sun, Dongsheng Xia, Haiming Xu, Qilin Yu, Yi Zheng, Yintao Shi.  (2022)  Boosting nonradical process in BiOI/BiOCl heterostructure by interface oxygen vacancies.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134847]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 105827-78-9, the molecular formula is C9H10ClN5O2, and the molecular weight is 255.67 g/mol. InChIKey YWTYJOPNNQFBPC-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.