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4-Hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid - ≥95%, high purity , CAS No.574-92-5

COA

Grade & Purity:

≥95%

Cas Number: 574-92-5
Molecular Weight: 257.17
EC Number: 209-377-8
MDL number: MFCD00006771
PubChem CID: 68459

In stock

Item Number

H770037

Grouped product items
SKU	Size	Availability	Price
H770037-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$47.90
H770037-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
H770037-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinoline carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinoline carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Quinoline carboxylic acids
Alternative Parents	Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Alkyl fluorides Organofluorides Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
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	4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
INCHI	InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKey	BIRIVPOTERXIOW-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C(=O)O
Isomeric SMILES	C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C(=O)O
WGK Germany	3
RTECS	VB2188000
PubChem CID	68459
Molecular Weight	257.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	257.160 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	257.03 Da
Monoisotopic Mass	257.03 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	416.000
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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