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Ethyl 6-chloropyridazine-4-carboxylate - ≥95%, high purity , CAS No.612834-90-9

COA

Grade & Purity:

≥95%

Cas Number: 612834-90-9
PubChem CID: 72206828

In stock

Item Number

E735048

Grouped product items
SKU	Size	Availability	Price	Qty
E735048-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$923.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyridazines and derivatives

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 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 - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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
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

Names and Identifiers

IUPAC Name	ethyl 6-chloropyridazine-4-carboxylate
INCHI	InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-6(8)10-9-4-5/h3-4H,2H2,1H3
InChIKey	DZSYDSVXAOQGNB-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=NN=C1)Cl
Isomeric SMILES	CCOC(=O)C1=CC(=NN=C1)Cl
PubChem CID	72206828

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.590 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	186.02 Da
Monoisotopic Mass	186.02 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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