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Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate - 97%, high purity , CAS No.71083-04-0

COA

Grade & Purity:

≥97%

Cas Number: 71083-04-0
Molecular Weight: 285.2
PubChem CID: 97019

In stock

Item Number

E186180

Grouped product items
SKU	Size	Availability	Price	Qty
E186180-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Basic Description

Synonyms	391-02-6 \| ethyl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate \| Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate \| 71083-04-0 \| Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate \| ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carbo
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	ethyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate
INCHI	InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-5-7(13(14,15)16)3-4-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)
InChIKey	YHUWNMJUAZJACG-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F
Isomeric SMILES	CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C(F)(F)F
Molecular Weight	285.2
Reaxy-Rn	10683050
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10683050&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.220 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	285.061 Da
Monoisotopic Mass	285.061 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445.000
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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