5-Nitrouracil - ≥99% , CAS No.611-08-5

CAS: 611-08-5 Cat. No.: N119336 Summenformel: C₄H₃N₃O₄ Molekulargewicht: 157.09 Beilstein Registry Number: 24320 EG-Nummer: 210-250-4

GRADE & PURITY ≥99%

Synonyms

BBL033938 | AKOS025293373 | EN300-73335 | 5-nitro-1H-pyrimidine-2,4-dione | 5-Nitro-2,4-dihydroxypyrimidine | AC-23094 | 5NU | CHEBI:60763 | 5-nitropyrimidine-2,4-diol | STL336705 | SCHEMBL190925 | SY001470 | AM83914 | DTXSID2060597 | FT-0620726 | Q271285

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BBL033938 | AKOS025293373 | EN300-73335 | 5-nitro-1H-pyrimidine-2,4-dione | 5-Nitro-2,4-dihydroxypyrimidine | AC-23094 | 5NU | CHEBI:60763 | 5-nitropyrimidine-2,4-diol | STL336705 | SCHEMBL190925 | SY001470 | AM83914 | DTXSID2060597 | FT-0620726 | Q271285

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488184230

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184230

Kanonisches Lächeln

C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

IUPAC Name

5-nitro-1H-pyrimidine-2,4-dione

InChIKey

TUARVSWVPPVUGS-UHFFFAOYSA-N

INCHI

1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)

Isomere SMILES

C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]

WGK Deutschland

2

RTECS

UV9104545

Molekulargewicht

157.09

Beilstein

24320

Reaxy-Rn

10410

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Hydroxypyrimidines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Hydroxypyrimidine - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: 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: C-nitro 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 157.080 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.012 Da
• Monoisotopic Mass: 157.012 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 263.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

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

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

The CAS Number is 611-08-5, the molecular formula is C4H3N3O4, and the molecular weight is 157.09 g/mol. InChIKey TUARVSWVPPVUGS-UHFFFAOYSA-N.

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.