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6-Chloro-5-methylpyrimidine-2,4(1H,3H)-dione - 97%, high purity , CAS No.1627-28-7

COA

Grade & Purity:

≥97%

Cas Number: 1627-28-7
Molecular Weight: 160.56
PubChem CID: 3014023

In stock

Item Number

C191323

Grouped product items
SKU	Size	Availability	Price	Qty
C191323-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
C191323-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90

Discover 6-Chloro-5-methylpyrimidine-2,4(1H,3H)-dione by Aladdin Scientific in 97% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-Chlorothymine \| 1627-28-7 \| Thymine, 6-chloro- \| 6-chloro-5-methyl-1H-pyrimidine-2,4-dione \| 6-CHLORO-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE \| SCHEMBL5259684 \| SCHEMBL10746044 \| DTXSID70167437 \| HOCVPMXPWHBCSK-UHFFFAOYSA-N \| MFCD01011765 \| AKOS016007225 \| SB57793 \| 5-Methyl-6-chl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Halopyrimidines
Alternative Parents	Pyrimidones Hydropyrimidines Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Urea - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	6-chloro-5-methyl-1H-pyrimidine-2,4-dione
INCHI	InChI=1S/C5H5ClN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
InChIKey	HOCVPMXPWHBCSK-UHFFFAOYSA-N
Smiles	CC1=C(NC(=O)NC1=O)Cl
Isomeric SMILES	CC1=C(NC(=O)NC1=O)Cl
Molecular Weight	160.56
Reaxy-Rn	607851
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607851&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.560 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.004 Da
Monoisotopic Mass	160.004 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	234.000
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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