Epoxiconazole - ≥95% , CAS No.106325-08-0

CAS: 106325-08-0 Cat. No.: E276054 分子式: C₁₇H₁₃ClFN₃O 分子量: 329.76 EC番号: 600-739-4

GRADE & PURITY ≥95%

Synonyms

CHEBI:4811 | ZMYFCFLJBGAQRS-IAGOWNOFSA-N | 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)- | Epoxiconazol | Fire Opal | AKOS015899598 | Fire Opal8117 | 1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

CHEBI:4811 | ZMYFCFLJBGAQRS-IAGOWNOFSA-N | 1-((3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole cis-(+-)- | Epoxiconazol | Fire Opal | AKOS015899598 | Fire Opal8117 | 1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophen

仕様と純度

≥95%

生化学的・生理学的メカニズム

Azole fungicide. Prevents the growth of mycelia and production of conidia. Carcinogenic in vitro .

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。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥95%

名前と識別子

パブケム・シド

504756638

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756638

カノニカル・スマイル

C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

IUPAC Name

1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole

InChIKey

ZMYFCFLJBGAQRS-IAGOWNOFSA-N

INCHI

1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1

異性体SMILES

C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

分子量

329.76

Reaxy-Rn

8150613

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8150613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Triazoles Heteroaromatic compounds Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Oxacycle - Azacycle - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: 1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl\}-1H-1,2,4-triazole

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

化学的性質と物理的性質

• 溶解度: Soluble in water
• 分子量: 329.800 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.073 Da
• Monoisotopic Mass: 329.073 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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