methyl 3,6-dichloropyridazine-4-carboxylate - ≥97% , CAS No.286946-24-5

CAS: 286946-24-5 Cat. No.: M176011 Peso molecular: 207.01 Número EC: 962-334-1

GRADE & PURITY ≥97%

Synonyms

methyl 3,6-bis(chloranyl)pyridazine-4-carboxylate | Methyl3,6-Dichloropyridazine-4-carboxylate | LQNIJCUBJNDOHH-UHFFFAOYSA-N | Methyl 3,6-dichloro-pyridazine-4-carboxylate | METHYL 3,6-DICHLOROPYRIDAZINE-4-CARBOXYLATE | A819538 | DTXSID50591357 | SCHEMBL2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

methyl 3, 6-bis(chloranyl)pyridazine-4-carboxylate | Methyl3, 6-Dichloropyridazine-4-carboxylate | LQNIJCUBJNDOHH-UHFFFAOYSA-N | Methyl 3, 6-dichloro-pyridazine-4-carboxylate | METHYL 3, 6-DICHLOROPYRIDAZINE-4-CARBOXYLATE | A819538 | DTXSID50591357 | SCHEMBL2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768655
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768655
• Sonrisas canónicas: COC(=O)C1=CC(=NN=C1Cl)Cl
• IUPAC Name: methyl 3,6-dichloropyridazine-4-carboxylate
• InChIKey: LQNIJCUBJNDOHH-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl2N2O2/c1-12-6(11)3-2-4(7)9-10-5(3)8/h2H,1H3
• Isómeros SMILES: COC(=O)C1=CC(=NN=C1Cl)Cl
• Peso molecular: 207.01
• Reaxy-Rn: 14198406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14198406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Aryl halide - Pyridazine - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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

• Peso molecular: 207.010 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.965 Da
• Monoisotopic Mass: 205.965 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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