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2,6-Dimethylisonicotinic acid - 98%, high purity , CAS No.54221-93-1

COA

Grade & Purity:

≥98%

Cas Number: 54221-93-1
Molecular Weight: 151.2
PubChem CID: 4531896
PubChem SID: 504763045

In stock

Item Number

D185105

Grouped product items
SKU	Size	Availability	Price
D185105-100mg	100mg	5	$13.90
D185105-250mg	250mg	4	$27.90
D185105-1g	1g	2	$67.90
D185105-5g	5g	1	$236.90

Basic Description

Synonyms	2,6-Dimethylisonicotinic acid \| 54221-93-1 \| 2,6-dimethylpyridine-4-carboxylic Acid \| 2,6-Dimethyl-isonicotinic acid \| 2,6-dimethyl-4-pyridinecarboxylic acid \| MFCD03731176 \| 4-PYRIDINECARBOXYLIC ACID, 2,6-DIMETHYL- \| 2,6-DIMETHYLISONICOTINICACID \| Oprea1_776810 \| 2,6-dime
Specifications & Purity	≥98%
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 Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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

Names and Identifiers

Pubchem Sid	504763045
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763045
IUPAC Name	2,6-dimethylpyridine-4-carboxylic acid
INCHI	InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11)
InChIKey	JRJLLMLYUFAZOM-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=N1)C)C(=O)O
Isomeric SMILES	CC1=CC(=CC(=N1)C)C(=O)O
Molecular Weight	151.2
Reaxy-Rn	3220
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3220&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
G2310790	Certificate of Analysis	Jun 17, 2023	D185105
B2421064	Certificate of Analysis	Jun 17, 2023	D185105
G2310771	Certificate of Analysis	Jun 17, 2023	D185105
G2310775	Certificate of Analysis	Jun 17, 2023	D185105
G2310784	Certificate of Analysis	Jun 17, 2023	D185105
G2310791	Certificate of Analysis	Jun 17, 2023	D185105
G2310772	Certificate of Analysis	Jun 17, 2023	D185105
G2310785	Certificate of Analysis	Jun 17, 2023	D185105
G2310782	Certificate of Analysis	Jun 17, 2023	D185105
G2310794	Certificate of Analysis	Jun 17, 2023	D185105

Chemical and Physical Properties

Molecular Weight	151.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.063 Da
Monoisotopic Mass	151.063 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148.000
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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