Nitenpyram - analytical standard , CAS No.150824-47-8

CAS: 150824-47-8 Cat. No.: N135540 Formula: C₁₁H₁₅ClN₄O₂ Molecular Weight: 270.72 Beilstein Registry Number: 8489488 EC Number: 634-900-5

GRADE & PURITY Analytical standard

Synonyms

(E)-Nitenpyram | (E)-N1'-[(6-chloro-3-pyridyl)methyl]-N1'-ethyl-N1-methyl-2-nitro-ethene-1,1-diamine;Nitenpyram | Q27119765 | Tox21_112342 | (1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine | 1,1-Ethenediamine, N-[(6-chlor

Storage

Room temperature

Shipped In

Normal

Overview

A chloronicotinyl insecticide mostly against fles as an adulticide.

Specifications

Synonyms

(E)-Nitenpyram | (E)-N1'-[(6-chloro-3-pyridyl)methyl]-N1'-ethyl-N1-methyl-2-nitro-ethene-1,1-diamine;Nitenpyram | Q27119765 | Tox21_112342 | (1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine | 1,1-Ethenediamine, N-[(6-chlor

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

504762357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762357

Canonical Smiles

CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC

IUPAC Name

(E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine

InChIKey

CFRPSFYHXJZSBI-DHZHZOJOSA-N

INCHI

1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+

Isomeric SMILES

CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC

WGK Germany

2

RTECS

KH8589450

Molecular Weight

270.72

Beilstein

8489488

Reaxy-Rn

8553513

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8553513&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

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CHRNA1 Tclin Acetylcholine receptor protein alpha chain (98 Activities)

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AOX1 Tchem Aldehyde oxidase (429 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

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Zea mays (820 Activities)

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Glycine max (342 Activities)

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Myzus persicae (1112 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Aphis gossypii (526 Activities)

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Bemisia tabaci (599 Activities)

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Gossypium hirsutum (233 Activities)

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Nilaparvata lugens (786 Activities)

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Vitis vinifera (99 Activities)

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nAChRbeta2 Acetylcholine receptor subunit beta-like 2 (115 Activities)

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Cheumatopsyche (45 Activities)

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Empoasca (2 Activities)

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Daphnia magna (43 Activities)

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Trichogramma nubilale (84 Activities)

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Anopheles gambiae (126 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): >70°C
• Molecular Weight: 270.710 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 270.088 Da
• Monoisotopic Mass: 270.088 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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

Frequently Asked Questions

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 150824-47-8, the molecular formula is C11H15ClN4O2, and the molecular weight is 270.72 g/mol. InChIKey CFRPSFYHXJZSBI-DHZHZOJOSA-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.