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methyl 2-methoxy-6-(trifluoromethyl)pyridine-4-carboxylate - 97%, high purity , CAS No.1227594-91-3

COA

Grade & Purity:

≥97%

Cas Number: 1227594-91-3
Molecular Weight: 235.16
PubChem CID: 118704473

In stock

Item Number

M627558

Grouped product items
SKU	Size	Availability	Price
M627558-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90
M627558-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$555.90
M627558-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$925.90
M627558-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,667.90

Basic Description

Synonyms	D86798 \| 1227594-91-3 \| AKOS027423652 \| SY289108 \| MFCD16611643 \| Methyl 2-methoxy-6-(trifluoromethyl)-4-pyridinecarboxylate \| methyl 2-methoxy-6-(trifluoromethyl)pyridine-4-carboxylate \| AS-68240 \| DTXSID901193106 \| methyl 2-methoxy-6-(trifluoromethyl)is
Specifications & Purity	≥97%
Shipped In	Normal

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	Polyhalopyridines Methylpyridines Fatty acid esters Alkyl aryl ethers 2-halopyridines Secondary ketimines Methyl esters Heteroaromatic compounds Enoate esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Polyhalopyridine - 2-halopyridine - Methylpyridine - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary ketimine - Ketimine - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - 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-methoxy-6-(trifluoromethyl)pyridine-4-carboxylate
INCHI	InChI=1S/C9H8F3NO3/c1-15-7-4-5(8(14)16-2)3-6(13-7)9(10,11)12/h3-4H,1-2H3
InChIKey	IMULAOHQPIYUDB-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=N1)C(F)(F)F)C(=O)OC
Isomeric SMILES	COC1=CC(=CC(=N1)C(F)(F)F)C(=O)OC
Alternate CAS	1227594-91-3
PubChem CID	118704473
Molecular Weight	235.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.160 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	235.046 Da
Monoisotopic Mass	235.046 Da
Topological Polar Surface Area	48.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	257.000
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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