4,6-Dihydroxypyrimidine - ≥99% , CAS No.1193-24-4

CAS: 1193-24-4 Cat. No.: D111105 Formula: C₄H₄N₂O₂ Peso molecolare: 112.09 Beilstein Registry Number: 112224 Numero EC: 214-772-3

GRADE & PURITY ≥99%

Synonyms

BCP00979 | 6-Hydroxy-4-pyrimidinone | MLS000774924 | HY-W015902 | InChI=1/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8) | EINECS 214-772-3 | SCHEMBL152294 | EC 214-772-3 | HYDROXY-4(1H)-PYRIMIDINONE, 6- | 4(3H)-Pyrimidinone, 6-hydroxy- | 4,6-Dihydroxypyr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

BCP00979 | 6-Hydroxy-4-pyrimidinone | MLS000774924 | HY-W015902 | InChI=1/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8) | EINECS 214-772-3 | SCHEMBL152294 | EC 214-772-3 | HYDROXY-4(1H)-PYRIMIDINONE, 6- | 4(3H)-Pyrimidinone, 6-hydroxy- | 4,6-Dihydroxypyr

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488181998
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181998
• Sorrisi canonici: C1=C(N=CNC1=O)O
• IUPAC Name: 4-hydroxy-1H-pyrimidin-6-one
• InChIKey: DUFGYCAXVIUXIP-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
• Isomeri SMILES: C1=C(N=CNC1=O)O
• WGK Germania: 1
• RTECS: UW7523000
• Peso molecolare: 112.09
• Beilstein: 112224
• Reaxy-Rn: 878560
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878560&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: Hydroxypyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 338°C
• Peso molecolare: 112.090 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.027 Da
• Monoisotopic Mass: 112.027 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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

Riferimenti

1. Jiangnan Li, Xiaoyu Ji, Deliang Zhu, Hongyan Tang.  (2024)  Facile fabrication of desalination NF membranes with enhanced chlorine resistance and antifouling performance by constructing zwitterionic polyester layer without chlorination sites.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2024.106171]

2. Hao Wang, Yinjie Wang, Tianyu Li, Chuang Yu, Peng Lin, Jiping Liu, Yuxuan Lan, Ye-Tang Pan.  (2025)  Nature-Inspired, Heat & Noise-Insulation, Highly Robust MOFs-Based Hybrid Fire-Retardant Coatings with Easy-Recycling Feature.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202500800]

3. Xu Xiangwei, Ying Yunzhan, Liang Shikun, Song Wenkai, Wu Zenglong, Zhang Fayang, Yan Haoxiang, Yao Yuyuan.  (2024)  Selective removal of organic contaminants and ascorbic acid enhancement effect based on the magnetic Fe0/FeS2-doped carbon nanolayer.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,      [PMID:39158657] [10.1007/s11356-024-34699-4]

Domande frequenti

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

The CAS Number is 1193-24-4, the molecular formula is C4H4N2O2, and the molecular weight is 112.09 g/mol. InChIKey DUFGYCAXVIUXIP-UHFFFAOYSA-N.

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 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.