Tetramethrin - analytical standard , CAS No.7696-12-0

CAS: 7696-12-0 Cat. No.: T114444 Molecular Weight: 331.41 Beilstein Registry Number: 8807938 EC Number: 231-711-6

GRADE & PURITY Analytical standard

Synonyms

E78274 | Q3234577 | Tetramethrin, PESTANAL(R), analytical standard | 1-(Cyclohexene-1,2-dicarboximido)methyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate | C18373 | d-Tetramethrin | d-Phthalthrin | NCGC00254919-01 | Z72930Q46K | Cyclopropaneca

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

E78274 | Q3234577 | Tetramethrin, PESTANAL(R), analytical standard | 1-(Cyclohexene-1, 2-dicarboximido)methyl 2, 2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate | C18373 | d-Tetramethrin | d-Phthalthrin | NCGC00254919-01 | Z72930Q46K | Cyclopropaneca

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 508816287
• Canonical Smiles: CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
• IUPAC Name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
• InChIKey: CXBMCYHAMVGWJQ-UHFFFAOYSA-N
• INCHI: 1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
• Isomeric SMILES: CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
• UN Number: 2588
• Packing Group: I
• Molecular Weight: 331.41
• Beilstein: 8807938
• Reaxy-Rn: 1547171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1547171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Bicyclic monoterpenoids Isoindoles Maleimides Cyclopropanecarboxylic acids and derivatives N-substituted carboxylic acid imides Pyrrolines Dicarboximides Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Isoindolone - Monoterpenoid - Isoindole - Maleimide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - Pyrroline - Carboxylic acid imide - Dicarboximide - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• External Descriptors: Pyrethroid 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)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (>20 mg/ml), ethanol (>20 mg/ml), acetone (>20 mg/ml), and hexane (>20 mg/ml). Insoluble in water.
• Molecular Weight: 331.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 331.178 Da
• Monoisotopic Mass: 331.178 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 639.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Yaoyao Qiao, Jinbao Qiao, Jinling Cao, Feier Cheng, Yanfen Cheng, Mingchang Chang, Junlong Meng, Jingyu Liu, Shaojun Yun, Cuiping Feng.  (2023)  Magnetic effervescence-assisted switchable solvent dispersive liquid-liquid microextraction for the determination of pyrethroids in edible fungi.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105473]

2. Xiao-Chun Ma, Zong-Qin Ma, Meng-Xin Zhao, Ying-Hui Wang, Yuan Peng, Xin Guo, Fang-Huan Wang, Zhe Meng, Hao-Bo Zheng.  (2020)  Facile synthesis of magnetic molybdenum disulfide@graphene nanocomposite with amphiphilic properties and its application in solid-phase extraction for a wide polarity of insecticides in wolfberry samples.  Analytical Methods,  13  (5): (672-684).  [PMID:33475104] [10.1039/D0AY01939A]

3. Wenhua Ji, Rihan Sun, Yanling Geng, Wei Liu, Xiao Wang.  (2017)  Rapid, low temperature synthesis of molecularly imprinted covalent organic frameworks for the highly selective extraction of cyano pyrethroids from plant samples.  ANALYTICA CHIMICA ACTA,      [PMID:29291801] [10.1016/j.aca.2017.12.001]