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

CAS: 2043-61-0 Cat. No.: C109681 Peso molecular: 112.17 Beilstein Registry Number: 878306 Número EC: 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

Descripción general

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

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

• Sonrisas canónicas: 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
• Isómeros SMILES: C1CCC(CC1)C=O
• WGK Alemania: 3
• Número ONU: 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
    • Clase Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, ether, alcohol. Slightly soluble in water.
• Sensibilidad: Light sensitive;Air sensitive;light sensitive
• Índice de refracción: 1.449-1.452
• Punto de inflamación (°F): 105.8 °F
• Punto de inflamación (°C): 40℃
• Punto de ebullición (°C): 159°C
• Punto de fusión (°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

Referencias

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]