Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate - ≥96% , CAS No.126085-91-4

CAS: 126085-91-4 Cat. No.: E166769 Peso molecular: 430.17 Número EC: 677-924-1

GRADE & PURITY ≥96%

Synonyms

LDFBGRFJCWKQCA-UHFFFAOYSA-N | SCHEMBL407357 | BFA08591 | H10443 | Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate | 3-Isoxazolecarboxylic acid, 5-(tributylstannyl)-, ethyl ester | Ethyl 5-(tri-n-butylstannyl)isoxazole-3-carboxylate | Ethyl 5-(tributylsta

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LDFBGRFJCWKQCA-UHFFFAOYSA-N | SCHEMBL407357 | BFA08591 | H10443 | Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate | 3-Isoxazolecarboxylic acid, 5-(tributylstannyl)-, ethyl ester | Ethyl 5-(tri-n-butylstannyl)isoxazole-3-carboxylate | Ethyl 5-(tributylsta

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC
• IUPAC Name: ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
• InChIKey: LDFBGRFJCWKQCA-UHFFFAOYSA-N
• INCHI: 1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3
• Isómeros SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC
• WGK Alemania: 3
• Peso molecular: 430.17
• Reaxy-Rn: 9578009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9578009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Metal aryls

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Metal aryls
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal aryls
• Alternative Parents: Isoxazoles Heteroaromatic compounds Trialkyltins Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Metal aryl - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid ester - Trialkyltin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organic salt - Organotin compound - Organooxygen compound - Organonitrogen compound - Organic post-transition metal moeity - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as metal aryls. These are organometallic compounds hat containing a metal atom substituted by on or more aryl groups.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.534
• Punto de inflamación (°F): 199.4 °F
• Punto de inflamación (°C): 93 °C
• Punto de ebullición (°C): >300 °C
• Peso molecular: 430.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 431.148 Da
• Monoisotopic Mass: 431.148 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 316.000
• 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

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