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Methyl 2-bromo-6-(trifluoromethyl)nicotinate - 97%, high purity , CAS No.144740-56-7

COA

Grade & Purity:

≥97%

Cas Number: 144740-56-7
Molecular Weight: 284.03
PubChem CID: 15217845

In stock

Item Number

M167319

Grouped product items
SKU	Size	Availability	Price
M167319-100mg	100mg	3	$100.90
M167319-250mg	250mg	3	$200.90
M167319-1g	1g	3	$434.90
M167319-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,534.90

Basic Description

Synonyms	methyl 2-bromo-6-(trifluoromethyl)nicotinate \| 144740-56-7 \| 3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester \| methyl 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate \| MFCD12025861 \| methyl 2-bromo-6-(trifluoromethyl)-3-pyridinecarboxylate \| M
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	2-halopyridines Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Methyl ester - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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 2-bromo-6-(trifluoromethyl)pyridine-3-carboxylate
INCHI	InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChIKey	PEEBGPINNABOSD-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(N=C(C=C1)C(F)(F)F)Br
Isomeric SMILES	COC(=O)C1=C(N=C(C=C1)C(F)(F)F)Br
Molecular Weight	284.03
Reaxy-Rn	8061753
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8061753&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2331698	Certificate of Analysis	Aug 21, 2023	M167319
H2331696	Certificate of Analysis	Aug 21, 2023	M167319
H2331695	Certificate of Analysis	Aug 21, 2023	M167319
H2331697	Certificate of Analysis	Aug 21, 2023	M167319

Chemical and Physical Properties

Molecular Weight	284.030 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	282.946 Da
Monoisotopic Mass	282.946 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247.000
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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