Lactofen - analytical standard, ≥74% , CAS No.77501-63-4

CAS: 77501-63-4 Cat. No.: L114776 分子式: C₁₉H₁₅ClF₃NO₇ 分子量: 461.77 EC番号: 616-466-9

GRADE & PURITY Analytical standard, ≥74%

Synonyms

(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | UNII-L44N8UV47O | DTXCID404160 | EC 616-466-9 | CAS-77501-63-4 | 1'-(CARBOETHOXY)ETHYL 5-(2-CHLORO-4- (TRIFLUOROMETHYL)PHENOXY)-2-NITROBENZOATE | Cobra herbicide | LACTO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate | UNII-L44N8UV47O | DTXCID404160 | EC 616-466-9 | CAS-77501-63-4 | 1'-(CARBOETHOXY)ETHYL 5-(2-CHLORO-4- (TRIFLUOROMETHYL)PHENOXY)-2-NITROBENZOATE | Cobra herbicide | LACTO

仕様と純度

analytical standard, ≥74%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

等級

分析用標準物質

純度

≥74%

名前と識別子

• パブケム・シド: 528769527
• カノニカル・スマイル: CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
• IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
• InChIKey: CONWAEURSVPLRM-UHFFFAOYSA-N
• INCHI: 1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
• 異性体SMILES: CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
• UN番号: 3077
• 包装グループ: III
• 分子量: 461.77
• Reaxy-Rn: 8724955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8724955&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Nitrobenzoic acids and derivatives Diarylethers Trifluoromethylbenzenes Benzoic acid esters Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organochlorides Organofluorides Alkyl fluorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Nitrobenzoate - Diaryl ether - Trifluoromethylbenzene - Benzoate ester - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

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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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

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HFF (3142 Activities)

Explore this target

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関連ターゲット（非人間）

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 461.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 461.049 Da
• Monoisotopic Mass: 461.049 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 657.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Yanning Tian, Lin Lai, Wenpei Wang, Yinhao Ma, Xing Huang.  (2026)  Distribution and Evolutionary Signatures of a Broad‐Spectrum Pesticide‐Degrading Carboxylesterase TriS From Strain S113.  ENVIRONMENTAL MICROBIOLOGY,  28  (8): (e70398).  [PMID:42551963] [10.1111/1462-2920.70398]