Admire - ≥97% , CAS No.105827-78-9

CAS: 105827-78-9 Cat. No.: A302148 Molecular Weight: 255.67 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488186358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186358
• Canonical Smiles: 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)
• Isomeric SMILES: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 136-144°C
• Molecular Weight: 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

References

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]