1H-pyrazole-4-carbaldehyde - ≥97% , CAS No.35344-95-7

CAS: 35344-95-7 Cat. No.: H176240 Peso molecular: 96.09 Número EC: 636-879-8

GRADE & PURITY ≥97%

Synonyms

AC-28863 | BCP23496 | 1-H-pyrazole-4-carboxaldehyde | 1H-Pyrazole-4-carboxaldehyde | BBL038290 | Z275127960 | FT-0647077 | W-202447 | EN300-62758 | SY013236 | EC-000.1272 | pyrazole-4-carbaldehyde | LRGBDJBDJXZTTD-UHFFFAOYSA-N | MFCD02179514 | 4-FORMYLPYR

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

4-Formylpyrazole is a reactant in the preparation of 1, 3-disubstituted-pyrazole derivatives as new class I and IIb histone deacetylase inhibitors.

Specifications

Sinónimos

AC-28863 | BCP23496 | 1-H-pyrazole-4-carboxaldehyde | 1H-Pyrazole-4-carboxaldehyde | BBL038290 | Z275127960 | FT-0647077 | W-202447 | EN300-62758 | SY013236 | EC-000.1272 | pyrazole-4-carbaldehyde | LRGBDJBDJXZTTD-UHFFFAOYSA-N | MFCD02179514 | 4-FORMYLPYR

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763235
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763235
• Sonrisas canónicas: C1=C(C=NN1)C=O
• IUPAC Name: 1H-pyrazole-4-carbaldehyde
• InChIKey: LRGBDJBDJXZTTD-UHFFFAOYSA-N
• INCHI: 1S/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6)
• Isómeros SMILES: C1=C(C=NN1)C=O
• Peso molecular: 96.09
• Reaxy-Rn: 742021
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742021&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly, Heated), Methanol (Slightly)
• Sensibilidad: Air Sensitive
• Peso molecular: 96.090 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 96.0324 Da
• Monoisotopic Mass: 96.0324 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 74.100
• 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

Referencias

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2. Yuhang Guo, Fusheng Pan, Guangzhaoyao Yang, Runnan Zhang, Shiyao Yu, Yuhan Wang, Ziting Zhu, Wenqing Gao, Zhiming Zhang, Tong Li, Zhongyi Jiang.  (2023)  Engineering metal-covalent organic framework-based hybrid oxygenation membranes for facilitated blood-gas exchange.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122088]

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