Cyazofamid - ≥98% , CAS No.120116-88-3

CAS: 120116-88-3 Cat. No.: C356373 分子式: C₁₃H₁₃ClN₄O₂S 分子量: 324.79 EC番号: 601-671-8

GRADE & PURITY ≥98%

Synonyms

4-chloro-2-cyano-N,N-dimethyl-5-p-tolyl-1H-imidazole-1-sulfonamide | MFCD04112761 | 4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile | IKF-916 | NCGC00168297-02 | HSDB 7505 | BCP24647 | CYAZOFAMID [HSDB] | D95239 | SCHEMBL22923 | Cya

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

4-chloro-2-cyano-N,N-dimethyl-5-p-tolyl-1H-imidazole-1-sulfonamide | MFCD04112761 | 4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile | IKF-916 | NCGC00168297-02 | HSDB 7505 | BCP24647 | CYAZOFAMID [HSDB] | D95239 | SCHEMBL22923 | Cya

仕様と純度

≥98%

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。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl
• IUPAC Name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
• InChIKey: YXKMMRDKEKCERS-UHFFFAOYSA-N
• INCHI: 1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
• 異性体SMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl
• UN番号: 3077
• 包装グループ: III
• 分子量: 324.79
• Reaxy-Rn: 9064229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9064229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: 1-sulfamoyl-1,2,3-triazoles 1,2,4,5-tetrasubstituted imidazoles Toluenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - 1,2,4,5-tetrasubstituted imidazole - 1-sulfamoyl-1,2,3-triazole - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Amide 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

関連ターゲット（人間）

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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関連ターゲット（非人間）

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Plasmopara viticola (181 Activities)

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Phytophthora infestans (820 Activities)

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Trypanosoma cruzi (99888 Activities)

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Apis mellifera (12 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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L6 (7924 Activities)

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Selenastrum capricornutum (40 Activities)

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

Discover Target: Nfe2l2

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

Discover Target: Nr1i2

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Cyprinidae (2 Activities)

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Pseudoperonospora cubensis (1623 Activities)

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Oncorhynchus mykiss (1 Activities)

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Daphnia magna (43 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 324.790 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 324.045 Da
• Monoisotopic Mass: 324.045 Da
• Topological Polar Surface Area: 87.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 516.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120116-88-3, the molecular formula is C13H13ClN4O2S, and the molecular weight is 324.79 g/mol. InChIKey YXKMMRDKEKCERS-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.