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Ethyl 4-chloroquinoline-3-carboxylate - 98%, high purity , CAS No.13720-94-0

COA

Grade & Purity:

≥98%

Cas Number: 13720-94-0
Molecular Weight: 235.7
MDL number: MFCD00173407
PubChem CID: 268963
PubChem SID: 488189176

In stock

Item Number

E181347

Grouped product items
SKU	Size	Availability	Price
E181347-250mg	250mg	6	$73.90
E181347-1g	1g	5	$225.90
E181347-5g	5g	4	$1,013.90
E181347-10g	10g	4	$1,823.90
E181347-25g	25g	4	$4,103.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	5-Benzyl-3-furylmethyl(+)-trans-chrysanthemate \| Ethyl 4-chloroquinoline-3-carboxylate, AldrichCPR \| J-650263 \| AC-2908 \| ETHYL4-CHLOROQUINOLINE-3-CARBOXYLATE \| FT-0618262 \| MFCD00173407 \| SY003320 \| NSC-136916 \| SCHEMBL776014 \| 6J-051 \| STK711101 \| Bione
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Haloquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Chloroquinolines
Alternative Parents	Pyridinecarboxylic acids Benzenoids Aryl chlorides Vinylogous halides 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	Chloroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine 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

Pubchem Sid	488189176
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189176
IUPAC Name	ethyl 4-chloroquinoline-3-carboxylate
INCHI	InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3
InChIKey	DWXQUAHMZWZXHP-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl
Isomeric SMILES	CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl
Molecular Weight	235.7
Reaxy-Rn	179435
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=179435&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
D2326845	Certificate of Analysis	May 15, 2023	E181347
D2326749	Certificate of Analysis	May 15, 2023	E181347
D2326759	Certificate of Analysis	May 15, 2023	E181347
D2326753	Certificate of Analysis	May 15, 2023	E181347
D2326763	Certificate of Analysis	May 06, 2023	E181347
D2326849	Certificate of Analysis	May 06, 2023	E181347
D2326760	Certificate of Analysis	May 06, 2023	E181347
D2326767	Certificate of Analysis	May 06, 2023	E181347
D2326838	Certificate of Analysis	May 06, 2023	E181347
D2326757	Certificate of Analysis	May 05, 2023	E181347

Chemical and Physical Properties

Boil Point(°C)	129 °C/0.2 mmHg
Melt Point(°C)	46 °C
Molecular Weight	235.660 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	235.04 Da
Monoisotopic Mass	235.04 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259.000
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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