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2-Chloro-6-methyl-5-nitro-4(1h)-pyrimidinone - 95%, high purity , CAS No.65224-66-0

COA

Grade & Purity:

≥95%

Cas Number: 65224-66-0
Molecular Weight: 189.6
PubChem CID: 135813684
PubChem SID: 504773441

In stock

Item Number

C185823

Grouped product items
SKU	Size	Availability	Price
C185823-250mg	250mg	3	$36.90
C185823-1g	1g	2	$111.90
C185823-5g	5g	2	$500.90

Basic Description

Synonyms	65224-66-0 \| 2-Chloro-6-methyl-5-nitropyrimidin-4(1H)-one \| 2-CHLORO-6-METHYL-5-NITRO-4(1H)-PYRIMIDINONE \| 2-Chloro-6-methyl-5-nitropyrimidin-4-ol \| 2-chloro-4-methyl-5-nitro-1H-pyrimidin-6-one \| C5H4ClN3O3 \| SCHEMBL6698344 \| 2-CHLORO-6-METHYL-5-NITRO-1H-PYRIMIDIN-4-ON
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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 Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Pyrimidones 2-halopyrimidines Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - 2-halopyrimidine - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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	504773441
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773441
IUPAC Name	2-chloro-4-methyl-5-nitro-1H-pyrimidin-6-one
INCHI	InChI=1S/C5H4ClN3O3/c1-2-3(9(11)12)4(10)8-5(6)7-2/h1H3,(H,7,8,10)
InChIKey	GNXOLOBSWUZOEF-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)NC(=N1)Cl)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C(=O)NC(=N1)Cl)[N+](=O)[O-]
PubChem CID	135813684
Molecular Weight	189.6

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2229163	Certificate of Analysis	Jun 09, 2025	C185823
H2229120	Certificate of Analysis	Jun 09, 2025	C185823
H2229164	Certificate of Analysis	Jun 09, 2025	C185823

Chemical and Physical Properties

Molecular Weight	189.560 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	188.994 Da
Monoisotopic Mass	188.994 Da
Topological Polar Surface Area	87.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	314.000
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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