Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate - ≥96% , CAS No.64067-99-8

CAS: 64067-99-8 Cat. No.: E185752 Peso molecular: 225.6 Número EC: 979-866-5

GRADE & PURITY ≥96%

Synonyms

AMY14137 | J-521191 | SCHEMBL974916 | Ethyl 6-chloroimidazo[1,2-b]pyridazin-2-ylcarboxylate | IMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID, 6-CHLORO-, ETHYL ESTER | 6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester | A847127 | ethyl 6-chloroimi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AMY14137 | J-521191 | SCHEMBL974916 | Ethyl 6-chloroimidazo[1, 2-b]pyridazin-2-ylcarboxylate | IMIDAZO[1, 2-B]PYRIDAZINE-2-CARBOXYLIC ACID, 6-CHLORO-, ETHYL ESTER | 6-chloroimidazo[1, 2-b]pyridazine-2-carboxylic acid ethyl ester | A847127 | ethyl 6-chloroimi

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488193839
• Sonrisas canónicas: CCOC(=O)C1=CN2C(=N1)C=CC(=N2)Cl
• IUPAC Name: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
• InChIKey: AZEPEWATPYRPBM-UHFFFAOYSA-N
• INCHI: 1S/C9H8ClN3O2/c1-2-15-9(14)6-5-13-8(11-6)4-3-7(10)12-13/h3-5H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CN2C(=N1)C=CC(=N2)Cl
• Peso molecular: 225.6
• Reaxy-Rn: 789229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=789229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: Pyridazines and derivatives N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridazine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• 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

• Punto de ebullición (°C): 227.1°C at 760 mmHg
• Punto de fusión (°C): 114-116°C
• Peso molecular: 225.630 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 225.031 Da
• Monoisotopic Mass: 225.031 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252.000
• 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