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Methyl 3-(trifluoromethyl)picolinate - 98%, high purity , CAS No.588702-69-6

COA

Grade & Purity:

≥98%

Cas Number: 588702-69-6
Molecular Weight: 205.13
PubChem CID: 46311186
PubChem SID: 488201284

In stock

Item Number

M489253

Grouped product items
SKU	Size	Availability	Price
M489253-250mg	250mg	3	$55.90
M489253-1g	1g	9	$128.90
M489253-5g	5g	9	$505.90
M489253-25g	25g	2	$1,820.90

Basic Description

Synonyms	Methyl 3-(trifluoromethyl)picolinate \| 588702-69-6 \| Methyl 3-(trifluoromethyl)pyridine-2-carboxylate \| MFCD14698094 \| methyl 3-(trifluoromethyl)-2-pyridinecarboxylate \| Methyl3-(trifluoromethyl)picolinate \| methyl 3-trifluoro-2-pyridinecarboxylate \| 2-Pyridinecarboxyl
Specifications & Purity	≥98%

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	Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - 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

Pubchem Sid	488201284
IUPAC Name	methyl 3-(trifluoromethyl)pyridine-2-carboxylate
INCHI	InChI=1S/C8H6F3NO2/c1-14-7(13)6-5(8(9,10)11)3-2-4-12-6/h2-4H,1H3
InChIKey	YRTIWUCFNRNKMA-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=CC=N1)C(F)(F)F
Isomeric SMILES	COC(=O)C1=C(C=CC=N1)C(F)(F)F
Molecular Weight	205.13
Reaxy-Rn	9479215
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9479215&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2321448	Certificate of Analysis	Sep 08, 2022	M489253
D2321445	Certificate of Analysis	Sep 08, 2022	M489253
K2203260	Certificate of Analysis	Sep 08, 2022	M489253
K2203513	Certificate of Analysis	Sep 08, 2022	M489253
K2203535	Certificate of Analysis	Sep 08, 2022	M489253
K2203514	Certificate of Analysis	Sep 08, 2022	M489253

Chemical and Physical Properties

Boil Point(°C)	256.0±40.0 °C(Predicted)
Molecular Weight	205.130 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	205.035 Da
Monoisotopic Mass	205.035 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217.000
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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