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Methyl 5-bromo-4-pyrimidinecarboxylate - 95%, high purity , CAS No.1009826-93-0

COA

Grade & Purity:

≥95%

Cas Number: 1009826-93-0
Molecular Weight: 217
PubChem CID: 45790077
PubChem SID: 504770642

In stock

Item Number

M178726

Grouped product items
SKU	Size	Availability	Price
M178726-50mg	50mg	3	$10.90
M178726-250mg	250mg	3	$44.90
M178726-1g	1g	2	$123.90
M178726-5g	5g	1	$569.90

Basic Description

Synonyms	methyl 5-bromopyrimidine-4-carboxylate \| 1009826-93-0 \| METHYL 5-BROMO-4-PYRIMIDINECARBOXYLATE \| MFCD11111841 \| 4-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester \| SCHEMBL630362 \| DTXSID80672209 \| XUPQZWPAEGFTMN-UHFFFAOYSA-N \| BCP26447 \| methyl5-bromopyrimidine-4-carboxy
Specifications & Purity	≥95%
Storage Temp	Room temperature
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 bromides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-6-carboxylic acid - Halopyrimidine - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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

Pubchem Sid	504770642
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770642
IUPAC Name	methyl 5-bromopyrimidine-4-carboxylate
INCHI	InChI=1S/C6H5BrN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChIKey	XUPQZWPAEGFTMN-UHFFFAOYSA-N
Smiles	COC(=O)C1=NC=NC=C1Br
Isomeric SMILES	COC(=O)C1=NC=NC=C1Br
Molecular Weight	217
Reaxy-Rn	15642262
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15642262&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J2319724	Certificate of Analysis	Sep 25, 2023	M178726
J2319722	Certificate of Analysis	Sep 25, 2023	M178726
J2319723	Certificate of Analysis	Sep 25, 2023	M178726
J2319721	Certificate of Analysis	Sep 25, 2023	M178726

Chemical and Physical Properties

Molecular Weight	217.020 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	215.953 Da
Monoisotopic Mass	215.953 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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