Tetrachlorvinphos - analytical standard , CAS No.22248-79-9

CAS: 22248-79-9 Cat. No.: T114806 分子式: C₁₀H₉Cl₄O₄P 分子量: 365.96 Beilstein Registry Number: 1890909 EC番号: 244-865-4 PubChem CID: 5284462

GRADE & PURITY Analytical standard

Synonyms

Tetrachlorvinphos|22248-79-9|STIROFOS|Gardona|(Z)-Tetrachlorvinphos|Stirophos|Z-Tetrachlorvinphos|Rabon|cis-Gardona|CVMP|Debantic|Dietreen|Gardcide|Stitifos|Rabond|Vinfos|Appex|Tetrachlorvinfos|Dust M|Stirofos [USAN]|Gardona (cis-isomer)|(Z)-Tetrachlorovi

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Tetrachlorvinphos | 22248-79-9 | STIROFOS | Gardona | (Z)-Tetrachlorvinphos | Stirophos | Z-Tetrachlorvinphos | Rabon | cis-Gardona | CVMP | Debantic | Dietreen | Gardcide | Stitifos | Rabond | Vinfos | Appex | Tetrachlorvinfos | Dust M | Stirofos [USAN] | Gardona (cis-isomer) | (Z)-Tetrachlorovi

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

パブケム・シド

528772117

カノニカル・スマイル

COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl

IUPAC Name

[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate

InChIKey

UBCKGWBNUIFUST-YHYXMXQVSA-N

INCHI

1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-

異性体SMILES

COP(=O)(OC)O/C(=C\Cl)/C1=CC(=C(C=C1Cl)Cl)Cl

WGKドイツ

3

RTECS

TB9100000

PubChem CID

5284462

UN番号

3077

分子量

365.96

Beilstein

1890909

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Dialkyl phosphates Chlorobenzenes Aryl chlorides Vinyl chlorides Chloroalkenes Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Chlorobenzene - Halobenzene - Dialkyl phosphate - Aryl chloride - Aryl halide - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Organophosphorus 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

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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関連ターゲット（非人間）

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 97-98°C
• 分子量: 366.000 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 365.896 Da
• Monoisotopic Mass: 363.899 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 371.000
• 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