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Ethyl 4-chloronicotinate hydrochloride - 97%, high purity , CAS No.174496-99-2

COA

Grade & Purity:

≥97%

Cas Number: 174496-99-2
Molecular Weight: 222.07
PubChem CID: 45489794

In stock

Item Number

E191550

Grouped product items
SKU	Size	Availability	Price	Qty
E191550-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$270.90
E191550-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90

Discover Ethyl 4-chloronicotinate hydrochloride by Aladdin Scientific in 97% for only $270.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ETHYL 4-CHLORONICOTINATE HCL \| LPFBXCWCEZYZOO-UHFFFAOYSA-N \| AKOS015847418 \| AB30313 \| W-206065 \| SB34272 \| ethyl 4-chloropyridine-3-carboxylate;hydrochloride \| EN300-8166356 \| Ethyl 4-chloronicotinate hydrochloride \| Ethyl 4-chloropyridine-3-carboxylate-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrochloride - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
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 4-chloropyridine-3-carboxylate;hydrochloride
INCHI	InChI=1S/C8H8ClNO2.ClH/c1-2-12-8(11)6-5-10-4-3-7(6)9;/h3-5H,2H2,1H3;1H
InChIKey	LPFBXCWCEZYZOO-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(C=CN=C1)Cl.Cl
Isomeric SMILES	CCOC(=O)C1=C(C=CN=C1)Cl.Cl
PubChem CID	45489794
Molecular Weight	222.07

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.070 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	221.001 Da
Monoisotopic Mass	221.001 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	163.000
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	2

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