Skip to the beginning of the images gallery

6-(Chloromethyl)uracil - ≥98.0%(HPLC), high purity , CAS No.18592-13-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 18592-13-7
Molecular Weight: 160.56
Beilstein Registry Number: 23(1)328
EC Number: 242-431-9
MDL number: MFCD00010095
PubChem CID: 73273
PubChem SID: 488184774

In stock

Item Number

C138407

Grouped product items
SKU	Size	Availability	Price
C138407-1g	1g	10	$25.90
C138407-5g	5g	5	$96.90
C138407-25g	25g	3	$387.90
C138407-100g	100g	1	$1,395.90

View related series

Halogenated heterocyclic block (1171) Pyrimidines (539)

Basic Description

Synonyms	4-chloromethyluracil \| C1057 \| Isobutenyl chloride \| SCHEMBL8551633 \| 6-chloromethyl-1H-pyrimidine-2,4-dione \| 6-chloromethylpyrimidine-2,4-dione \| DTXSID4066387 \| 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)- \| BCP12290 \| 6-(Chloromethyl)uracil \| Butene,
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	6-(Chloromethyl)uracil on chlorination with sulfuryl chloride in acetic acid yields 5-chloro-6-(chloromethyl)uracil. It was used in the synthesis of: . 5-bromo-6-(chloromethyl)uracil. . pteridine compounds, potential anticancer agents. . substituted uracil pyridinium compounds, potential inhibitors of thymidine phosphorylase.

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	Pyrimidones
Alternative Parents	Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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

Pubchem Sid	488184774
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184774
IUPAC Name	6-(chloromethyl)-1H-pyrimidine-2,4-dione
INCHI	InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChIKey	VCFXBAPEXBTNEA-UHFFFAOYSA-N
Smiles	C1=C(NC(=O)NC1=O)CCl
Isomeric SMILES	C1=C(NC(=O)NC1=O)CCl
WGK Germany	3
Molecular Weight	160.56
Beilstein	23(1)328
Reaxy-Rn	124378
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124378&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C2329478	Certificate of Analysis	Jan 10, 2025	C138407
K2120323	Certificate of Analysis	Sep 18, 2023	C138407
K2120416	Certificate of Analysis	Sep 18, 2023	C138407
K2120322	Certificate of Analysis	Sep 18, 2023	C138407
D1712078	Certificate of Analysis	Nov 16, 2022	C138407

Chemical and Physical Properties

Molecular Weight	160.560 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
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	212.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration