Iprodione - ≥97% , CAS No.36734-19-7

CAS: 36734-19-7 Cat. No.: D140383 分子式: Cl₂C₁₃H₁₃N₃O₃ 分子量: 330.17 Beilstein Registry Number: 895003 EC番号: 253-178-9

GRADE & PURITY ≥97%

Synonyms

1ST21164 | NCGC00163788-02 | 3-(3,5-DICHLOROPHENYL)-2,4-DIOXO-N-PROPAN-2-YL-IMIDAZOLIDINE-1-CARBOXAMIDE | 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide | NCGC00163788-04 | NCGC00163788-05 | Rovral PM | Kidan | UNII-S3AYV2A6EU |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1ST21164 | NCGC00163788-02 | 3-(3,5-DICHLOROPHENYL)-2,4-DIOXO-N-PROPAN-2-YL-IMIDAZOLIDINE-1-CARBOXAMIDE | 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide | NCGC00163788-04 | NCGC00163788-05 | Rovral PM | Kidan | UNII-S3AYV2A6EU |

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

• パブケム・シド: 488183290
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488183290
• カノニカル・スマイル: CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
• IUPAC Name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
• InChIKey: ONUFESLQCSAYKA-UHFFFAOYSA-N
• INCHI: 1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
• 異性体SMILES: CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
• WGKドイツ: 3
• RTECS: NI8870000
• UN番号: 3077
• 分子量: 330.17
• Beilstein: 895003
• Reaxy-Rn: 895003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=895003&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins
              • Level8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Alpha amino acids and derivatives Dichlorobenzenes N-acyl ureas Aryl chlorides Dicarboximides Isoureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylhydantoin - Phenylimidazolidine - Alpha-amino acid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - N-acyl urea - Ureide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Isourea - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Carboximidic acid derivative - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
• External Descriptors: Dicarboximide fungicides

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

Discover Target: PPARG

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Trypanosoma cruzi (99888 Activities)

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Corynespora cassiicola (104 Activities)

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Fulvia fulva (138 Activities)

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

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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Neofusicoccum australe (78 Activities)

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Pestalotiopsis microspora (57 Activities)

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Diplodia mutila (102 Activities)

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Neofusicoccum luteum (172 Activities)

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Pseudomonas amygdali pv. lachrymans (49 Activities)

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Monilinia laxa (436 Activities)

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Pseudoperonospora cubensis (1623 Activities)

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Mycogone perniciosa (4 Activities)

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Ascochyta (23 Activities)

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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）: 136°C
• 分子量: 330.160 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 329.033 Da
• Monoisotopic Mass: 329.033 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 448.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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. Yang Li, Xiaohuan Zang, Yahuan Li, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2023)  Selective extraction of fungicides from fruit samples with defective UiO-66 as solid-phase microextraction fiber coating.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108608]

2. Xiaoyu Liang, Yun Peng, Yanchao Liu, Meng Wang, Ye Yang, Yu Zhang.  (2019)  First report of Bipolaris bicolor causing a leaf spot disease on rubber tree.  JOURNAL OF PHYTOPATHOLOGY,  167  (10): (553-557).  [PMID:] [10.1111/jph.12839]

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 36734-19-7, the molecular formula is C13H13Cl2N3O3, and the molecular weight is 330.17 g/mol. InChIKey ONUFESLQCSAYKA-UHFFFAOYSA-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.