Cyclohexanecarboxaldehyde - ≥97% , CAS No.2043-61-0

CAS: 2043-61-0 Cat. No.: C109681 Fórmula: C₇H₁₂O Peso molecular: 112.17 Beilstein Registry Number: 878306 Número CE: 218-057-7

GRADE & PURITY ≥97%

Synonyms

cyclohexylcarbaldehyde | Cyclohexanecarboxaldehyde; | CHEBI:197359 | Cyclohexancarboxaldehyde | cyclohexane carbaldehyde | cyclohexane carboaldehyde | A814556 | Cyclohexanealdehyde | cyclohexane-aldehyde | cyclohexancarbaldehyd | cyclohexyl carboxaldehyde

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

Employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters

Specifications

Sinónimos

cyclohexylcarbaldehyde | Cyclohexanecarboxaldehyde; | CHEBI:197359 | Cyclohexancarboxaldehyde | cyclohexane carbaldehyde | cyclohexane carboaldehyde | A814556 | Cyclohexanealdehyde | cyclohexane-aldehyde | cyclohexancarbaldehyd | cyclohexyl carboxaldehyde

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

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: 508814721
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508814721
• Sorrisos canónicos: C1CCC(CC1)C=O
• IUPAC Name: cyclohexanecarbaldehyde
• InChIKey: KVFDZFBHBWTVID-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2
• SMILES isoméricas: C1CCC(CC1)C=O
• WGK Alemanha: 3
• Número UN: 1989
• Peso molecular: 112.17
• Beilstein: 878306
• Reaxy-Rn: 878306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
• 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

• Solubilidade: Soluble in chloroform, ether, alcohol. Slightly soluble in water.
• Sensibilidade: Light sensitive;Air sensitive;light sensitive
• Índice de refração: 1.449-1.452
• Ponto de inflamação (°F): 105.8 °F
• Ponto de inflamação (°C): 40℃
• Ponto de ebulição (°C): 159°C
• Ponto de fusão (°C): 34-35℃
• Peso molecular: 112.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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

Referências

1. Shenghui Zhou, Fanglin Dai, Zhouyang Xiang, Tao Song, Detao Liu, Fachuang Lu, Haisong Qi.  (2019)  Zirconium–lignosulfonate polyphenolic polymer for highly efficient hydrogen transfer of biomass-derived oxygenates under mild conditions.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.02.011]

2. Yilin Wei, Zhiwei Sun, Qingqing Li, Dan Wu, Jianshe Wang, Yuexing Zhang, Chunbao Charles Xu, Renfeng Nie.  (2024)  Efficient reductive amination of furfural to furfurylamine promoted synergistically by surface Co0 and oxygen-vacant CoOx.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131703]