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ethyl 3,6-dichloropyridazine-4-carboxylate - 97%, high purity , CAS No.34127-22-5
Basic Description
Synonyms
4-Pyridazinecarboxylic acid, 3,6-dichloro-, ethyl ester | AMY31041 | MFCD08704423 | F53192 | BCP19398 | AB48559 | AS-48750 | AKOS015995092 | DTXSID70576449 | EN300-370955 | ETHYL 3,6-DICHLOROPYRIDAZINE-4-CARBOXYLATE | Z1269223827 | KVWIASCXKZVAQG-UHFFFAOY
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridazines and derivatives
Alternative Parents
Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl chloride - Aryl halide - Pyridazine - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
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.
Names and Identifiers
IUPAC Name
ethyl 3,6-dichloropyridazine-4-carboxylate
INCHI
InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)4-3-5(8)10-11-6(4)9/h3H,2H2,1H3
InChIKey
KVWIASCXKZVAQG-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CC(=NN=C1Cl)Cl
Isomeric SMILES
CCOC(=O)C1=CC(=NN=C1Cl)Cl
Alternate CAS
34127-22-5
PubChem CID
15657915
Molecular Weight
221.04
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
221.040 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
219.981 Da
Monoisotopic Mass
219.981 Da
Topological Polar Surface Area
52.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
191.000
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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