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Methyl 2-chloro-3-methylisonicotinate - 97%, high purity , CAS No.787596-41-2

COA

Grade & Purity:

≥97%

Cas Number: 787596-41-2
Molecular Weight: 185.6
PubChem CID: 53436889
PubChem SID: 504771253

In stock

Item Number

M186635

Grouped product items
SKU	Size	Availability	Price
M186635-250mg	250mg	7	$80.90
M186635-1g	1g	5	$201.90
M186635-5g	5g	2	$694.90
M186635-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,249.90

Basic Description

Synonyms	METHYL 2-CHLORO-3-METHYLISONICOTINATE \| 787596-41-2 \| METHYL 2-CHLORO-3-METHYLPYRIDINE-4-CARBOXYLATE \| 2-chloro-3-methylisonicotinic acid methyl ester \| MFCD08275065 \| 4-Pyridinecarboxylic acid, 2-chloro-3-methyl-, methyl ester \| SCHEMBL3546923 \| DTXSID60700958 \| LUWGTKB
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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	Methylpyridines 2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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

Names and Identifiers

Pubchem Sid	504771253
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771253
IUPAC Name	methyl 2-chloro-3-methylpyridine-4-carboxylate
INCHI	InChI=1S/C8H8ClNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3
InChIKey	LUWGTKBLQCPEMS-UHFFFAOYSA-N
Smiles	CC1=C(C=CN=C1Cl)C(=O)OC
Isomeric SMILES	CC1=C(C=CN=C1Cl)C(=O)OC
Molecular Weight	185.6
Reaxy-Rn	15496283
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15496283&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
F2317076	Certificate of Analysis	May 24, 2023	M186635
F2317082	Certificate of Analysis	May 24, 2023	M186635
F2317078	Certificate of Analysis	May 24, 2023	M186635
F2317079	Certificate of Analysis	May 24, 2023	M186635
F2317142	Certificate of Analysis	May 24, 2023	M186635
F2317027	Certificate of Analysis	May 24, 2023	M186635

Chemical and Physical Properties

Molecular Weight	185.610 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	185.024 Da
Monoisotopic Mass	185.024 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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