Imidacloprid - 10mM in DMSO , CAS No.138261-41-3

CAS: 138261-41-3 Cat. No.: I421443 分子式: C₉H₁₀ClN₅O₂ 分子量: 255.66 EC番号: 428-040-8

GRADE & PURITY 10mM in DMSO

Synonyms

BCP9000648 | Confidor 200 O-TEQ | InChI=1/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) | 1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine | 1-(6-chloro-3-pyridylmethyl)-n-nitroimidazolidine-2-ylideneami

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

BCP9000648 | Confidor 200 O-TEQ | InChI=1/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) | 1-((6-Chloro-3-pyridinyl)methyl)-N-nitro-2-imidazolidinimine | 1-(6-chloro-3-pyridylmethyl)-n-nitroimidazolidine-2-ylideneami

仕様と純度

10mM in DMSO

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528770795

カノニカル・スマイル

C1CN(C(=N[N+](=O)[O-])N1)CC2=CN=C(C=C2)Cl

IUPAC Name

(NE)-N-[1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]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(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl

WGKドイツ

2

RTECS

NJ0560000

分子量

255.66

Reaxy-Rn

5444268

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5444268&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: Light sensitive.
• 融点（°C）: 143.8°C
• 分子量: 255.660 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• 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: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1