5-Chlorouracil - ≥98% , CAS No.1820-81-1

CAS: 1820-81-1 Cat. No.: C103227 Formula: C₄H₃ClN₂O₂ Peso molecolare: 146.53 Beilstein Registry Number: 127173 Numero EC: 217-339-7

GRADE & PURITY ≥98%

Synonyms

EINECS 217-339-7 | AKOS003093906 | InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro- | 5-Chlorouracil, ReagentPlus(R), 99% | 5-Chlorouracil (Fluorouracil Impurity) | EN300-96343 | Z1203730752 | 5-Chloropyrimid

Storage

Room temperature

Shipped In

Normal

Panoramica

The shape resonance spectra of 5-chlorouracil, obtained from fixed-nuclei elastic scattering calculations by the Schwinger multichannel method with pseudopotentials, was studied.
5-Chlorouracil was used as a control in resazurin-based cytotoxicity assay for screening of cytotoxicity in hepatocytes and liver cell lines.

Specifications

Sinonimi

EINECS 217-339-7 | AKOS003093906 | InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro- | 5-Chlorouracil, ReagentPlus(R), 99% | 5-Chlorouracil (Fluorouracil Impurity) | EN300-96343 | Z1203730752 | 5-Chloropyrimid

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488182173
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182173
• Sorrisi canonici: C1=C(C(=O)NC(=O)N1)Cl
• IUPAC Name: 5-chloro-1H-pyrimidine-2,4-dione
• InChIKey: ZFTBZKVVGZNMJR-UHFFFAOYSA-N
• INCHI: 1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
• Isomeri SMILES: C1=C(C(=O)NC(=O)N1)Cl
• WGK Germania: 3
• RTECS: YQ9410000
• Peso molecolare: 146.53
• Beilstein: 127173
• Reaxy-Rn: 127173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen 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 amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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: organochlorine compound

Data sources

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 1 M NH4OH: soluble 50 mg/mL
• Punto di fusione (°C): >300°C
• Peso molecolare: 146.530 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.988 Da
• Monoisotopic Mass: 145.988 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 199.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1820-81-1, the molecular formula is C4H3ClN2O2, and the molecular weight is 146.53 g/mol. InChIKey ZFTBZKVVGZNMJR-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.