6-Iodouracil - ≥97% , CAS No.4269-94-7

CAS: 4269-94-7 Cat. No.: I193373 Fórmula: C₄H₃IN₂O₂ Peso molecular: 237.98

GRAU & PUREZA ≥97%

Synonyms

NSC 51094 | NSC51094 | NSC-51094 | SCHEMBL12964318 | AKOS015853875 | AMY084 | 6-iodo-1H-pyrimidine-2,4-dione | 2,4(1H,3H)-Pyrimidinedione, 6-iodo- | MFCD01346695 | FT-0635197 | SB60535 | DS-13941 | 6-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione | 6-Iodoura

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Especificações

Sinónimos

NSC 51094 | NSC51094 | NSC-51094 | SCHEMBL12964318 | AKOS015853875 | AMY084 | 6-iodo-1H-pyrimidine-2,4-dione | 2,4(1H,3H)-Pyrimidinedione, 6-iodo- | MFCD01346695 | FT-0635197 | SB60535 | DS-13941 | 6-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione | 6-Iodoura

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528762556

Sorrisos canónicos

C1=C(NC(=O)NC1=O)I

IUPAC Name

6-iodo-1H-pyrimidine-2,4-dione

InChIKey

KSLZHGYKGYWHOO-UHFFFAOYSA-N

INCHI

1S/C4H3IN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)

SMILES isoméricas

C1=C(NC(=O)NC1=O)I

Peso molecular

237.98

Reaxy-Rn

509535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509535&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 iodides Vinylogous halides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Pyrimidone - Aryl halide - Aryl iodide - Hydropyrimidine - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 237.980 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.924 Da
• Monoisotopic Mass: 237.924 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