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6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester - 98%, high purity , CAS No.1189106-89-5

COA

Grade & Purity:

≥98%

Cas Number: 1189106-89-5
Molecular Weight: 308.17
PubChem CID: 45599450
PubChem SID: 488201211

In stock

Item Number

B166316

Grouped product items
SKU	Size	Availability	Price	Qty
B166316-250mg	250mg	5	$68.90
B166316-1g	1g	2	$211.90

Discover 6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester by Aladdin Scientific in 98% for only $68.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD12675068 \| Ethyl 6-bromo-2,8-dimethylquinoline-3-carboxylate \| 6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester, AldrichCPR \| DTXSID90670993 \| 6-Bromo-2,8-dimethylquinoline-3-carboxylic acid ethyl ester \| 1189106-89-5
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	Haloquinolines
Alternative Parents	Pyridinecarboxylic acids Methylpyridines Benzenoids Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Haloquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methylpyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
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	488201211
IUPAC Name	ethyl 6-bromo-2,8-dimethylquinoline-3-carboxylate
INCHI	InChI=1S/C14H14BrNO2/c1-4-18-14(17)12-7-10-6-11(15)5-8(2)13(10)16-9(12)3/h5-7H,4H2,1-3H3
InChIKey	VJYQABAYMMJICK-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(N=C2C(=CC(=CC2=C1)Br)C)C
Isomeric SMILES	CCOC(=O)C1=C(N=C2C(=CC(=CC2=C1)Br)C)C
WGK Germany	3
PubChem CID	45599450
Molecular Weight	308.17

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2518092	Certificate of Analysis	Feb 01, 2023	B166316
C2310904	Certificate of Analysis	Feb 01, 2023	B166316
C2310901	Certificate of Analysis	Feb 01, 2023	B166316

Chemical and Physical Properties

Molecular Weight	308.170 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	307.021 Da
Monoisotopic Mass	307.021 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	310.000
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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