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Methyl Isonicotinate - >98%, high purity , CAS No.2459-09-8

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Methyl Isonicotinate - >98%, high purity , CAS No.2459-09-8

COA

Grade & Purity:

≥98%

Cas Number: 2459-09-8
Molecular Weight: 137.14
Beilstein Registry Number: 22,46
MDL number: MFCD00006427
PubChem CID: 227085
PubChem SID: 504757959

In stock

Item Number

M157816

Grouped product items
SKU	Size	Availability	Price
M157816-5g	5g	1	$9.90
M157816-25g	25g	3	$27.90
M157816-100g	100g	2	$69.90
M157816-500g	500g	1	$214.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	4-Carbomethoxypyridine \| AKOS000121257 \| Methylisonicotinate \| 4-Picolinic acid methyl ester \| W-106173 \| FT-0627427 \| methylpyridine-4-carboxylate \| Focal Adhesion Kinase Inhibitor I - CAS 4506-66-5 \| NCGC00020832-01 \| UNII-AH74GPR4IK \| FT-0651801 \| AKOS
Specifications & Purity	≥98%
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.
Product Description	Methyl isonicotinate can be used in: ? The preparation of various photosensitizers for applications in dye-sensitized solar cells (DSSCs). ? Synthesizing luminophore for luminescent metal-organic framework (MOF). ? Nonaqueous redox flow batteries as pyridine-based anolyte material that undergoes two reversible reductions in solutions with Li-ion electrolytes.

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 Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

Associated Targets(non-human)

Frankliniella occidentalis (90 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Thrips tabaci (33 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504757959
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757959
IUPAC Name	methyl pyridine-4-carboxylate
INCHI	InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
InChIKey	OLXYLDUSSBULGU-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=NC=C1
Isomeric SMILES	COC(=O)C1=CC=NC=C1
Molecular Weight	137.14
Beilstein	22,46
Reaxy-Rn	114618
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114618&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
L2318050	Certificate of Analysis	Oct 15, 2022	M157816
L1827049	Certificate of Analysis	Oct 15, 2022	M157816
I2203365	Certificate of Analysis	Jun 17, 2022	M157816
I2203361	Certificate of Analysis	Jun 17, 2022	M157816
I2203360	Certificate of Analysis	Jun 17, 2022	M157816

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Refractive Index	1.512
Flash Point(°F)	82°C
Flash Point(°C)	82°C
Boil Point(°C)	207-209 °C
Melt Point(°C)	8-8.5 °C
Molecular Weight	137.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.048 Da
Monoisotopic Mass	137.048 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	119.000
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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