Azaconazole - ≥97% , CAS No.60207-31-0

CAS: 60207-31-0 Cat. No.: A640049 Formule: C₁₂H₁₁Cl₂N₃O₂ Poids moléculaire: 300.14 Numéro CE: 262-102-3

GRADE & PURITY ≥97%

Synonyms

AZACONAZOLE|60207-31-0|Madurox|Azaconazol|1-((2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|Azaconazolum|Azoconazole|R 28644|R-28644|1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole|1-[2-(2,4-Dichlorophenyl)-1,3-dio

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AZACONAZOLE | 60207-31-0 | Madurox | Azaconazol | 1-((2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole | Azaconazolum | Azoconazole | R 28644 | R-28644 | 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | 1-[2-(2,4-Dichlorophenyl)-1,3-dio

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
• IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
• InChIKey: AKNQMEBLVAMSNZ-UHFFFAOYSA-N
• INCHI: 1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
• Isomères SMILES: C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
• WGK Allemagne: 1
• RTECS: XZ4605000
• Poids moléculaire: 300.14
• Reaxy-Rn: 822252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=822252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Ketals Aryl chlorides Triazoles Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Ketal - Aryl chloride - Aryl halide - Meta-dioxolane - Azole - 1,2,4-triazole - Heteroaromatic compound - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Conazole 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

Cibles associées (humaines)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Cibles associées (non humaines)

ERG11 Cytochrome P450 51 (617 Activities)

Discover Target: ERG11

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 300.140 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 299.023 Da
• Monoisotopic Mass: 299.023 Da
• Topological Polar Surface Area: 49.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 315.000
• 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

Foire aux questions

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 should this product be stored?

Store at room temperature.

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 60207-31-0, the molecular formula is C12H11Cl2N3O2, and the molecular weight is 300.14 g/mol. InChIKey AKNQMEBLVAMSNZ-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.