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Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate - 98%, high purity , CAS No.1072944-77-4

COA

Grade & Purity:

≥98%

Cas Number: 1072944-77-4
Molecular Weight: 350.1
PubChem CID: 46739173

In stock

Item Number

M179163

Grouped product items
SKU	Size	Availability	Price
M179163-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,040.90
M179163-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,174.90
M179163-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,771.90

Discover Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate by Aladdin Scientific in 98% for only $1,040.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl8-bromo-4-hydroxy-5-(trifluoromethyl)quinoline-2-carboxylate \| METHYL 8-BROMO-4-HYDROXY-5-TRIFLUOROMETHYLQUINOLINE-2-CARBOXYLATE \| Methyl 8-bromo-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate \| 1072944-77-4 \| Methyl 8-bromo-4-hydroxy-
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 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	Haloquinolines Hydroquinolines Pyridinecarboxylic acids Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Methyl esters Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds Organooxygen compounds Organic oxides Organobromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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

Names and Identifiers

IUPAC Name	methyl 8-bromo-4-oxo-5-(trifluoromethyl)-1H-quinoline-2-carboxylate
INCHI	InChI=1S/C12H7BrF3NO3/c1-20-11(19)7-4-8(18)9-5(12(14,15)16)2-3-6(13)10(9)17-7/h2-4H,1H3,(H,17,18)
InChIKey	OPEUYXHXFXICBM-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)C(F)(F)F
Isomeric SMILES	COC(=O)C1=CC(=O)C2=C(C=CC(=C2N1)Br)C(F)(F)F
PubChem CID	46739173
Molecular Weight	350.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	350.090 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	348.956 Da
Monoisotopic Mass	348.956 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	463.000
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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