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Methyl 2-Chloro-6-methylisonicotinate - >97.0%(GC), high purity , CAS No.3998-90-1

COA

Grade & Purity:

≥97%(GC)

Cas Number: 3998-90-1
Molecular Weight: 185.61
MDL number: MFCD04038391
PubChem CID: 2759833
PubChem SID: 488193151

In stock

Item Number

M157923

Grouped product items
SKU	Size	Availability	Price
M157923-250mg	250mg	3	$9.90
M157923-1g	1g	3	$21.90
M157923-5g	5g	5	$87.90
M157923-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
M157923-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$353.90

View related series

Chloropyridine (241) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	M2239 \| AC-23148 \| AB17061 \| 2-Chloro-6-methylisonicotinic Acid Methyl Ester \| 2-chloro-6-methyl-isonicotinic acid methyl ester \| PS-6097 \| Methyl 2-chloro-6-methylpyridine-4-carboxylate, 97% \| methyl-2-chloro-6-methylpyridine-4-carboxylate \| 2-chloro-6-p
Specifications & Purity	≥97%(GC)
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	Methylpyridines 2-halopyridines Aryl chlorides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Methylpyridine - 2-halopyridine - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - 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	488193151
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193151
IUPAC Name	methyl 2-chloro-6-methylpyridine-4-carboxylate
INCHI	InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKey	BDWMGYZSQKGUFA-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=N1)Cl)C(=O)OC
Isomeric SMILES	CC1=CC(=CC(=N1)Cl)C(=O)OC
WGK Germany	3
Molecular Weight	185.61
Reaxy-Rn	131425
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131425&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.

3 results found

Lot Number	Certificate Type	Date	Item
K2313055	Certificate of Analysis	Jan 19, 2023	M157923
E1905015	Certificate of Analysis	Jan 18, 2023	M157923
L2206080	Certificate of Analysis	Dec 16, 2022	M157923

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	124.5℃
Melt Point(°C)	60℃
Molecular Weight	185.610 g/mol
XLogP3	2.100
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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