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methyl 4-chloropyrimidine-2-carboxylate - 97%, high purity , CAS No.811450-17-6

COA

Grade & Purity:

≥97%

Cas Number: 811450-17-6
Molecular Weight: 172.57
EC Number: 816-596-8
PubChem CID: 64989066

In stock

Item Number

M634584

Grouped product items
SKU	Size	Availability	Price
M634584-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
M634584-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$265.90
M634584-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$443.90
M634584-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$799.90

Basic Description

Synonyms	AKOS014320276 \| BS-49551 \| SB57082 \| P20760 \| SY262116 \| Z1255501119 \| EN300-95970 \| SCHEMBL23795448 \| MFCD16987921 \| methyl 4-chloropyrimidine-2-carboxylate \| CS-0265019 \| methyl4-chloropyrimidine-2-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Halopyrimidines Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-2-carboxylic acid - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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 4-chloropyrimidine-2-carboxylate
INCHI	InChI=1S/C6H5ClN2O2/c1-11-6(10)5-8-3-2-4(7)9-5/h2-3H,1H3
InChIKey	DIHSXFKKXMHFBI-UHFFFAOYSA-N
Smiles	COC(=O)C1=NC=CC(=N1)Cl
Isomeric SMILES	COC(=O)C1=NC=CC(=N1)Cl
Alternate CAS	811450-17-6
PubChem CID	64989066
Molecular Weight	172.57

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.570 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	172.004 Da
Monoisotopic Mass	172.004 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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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