4,4-Difluorocyclohexanecarboxaldehyde - ≥97% , CAS No.265108-36-9

CAS: 265108-36-9 Cat. No.: D169145 Peso molecular: 148.15 Número EC: 817-040-7

GRADE & PURITY ≥97%

Synonyms

4,4-DIFLUORO-CYCLOHEXANECARBALDEHYDE | SY102186 | Z1198218835 | C7H10F2O | MFCD09263468 | 4,4-Difluorocyclohexanecarboaldehyde | STL555403 | 4,4-difluoro-cyclohexanecarboxaldehyde | FT-0683966 | 4,4-DifluoroCyclohexanecarboxaldehyde | DTXSID20463254 | DS-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4, 4-DIFLUORO-CYCLOHEXANECARBALDEHYDE | SY102186 | Z1198218835 | C7H10F2O | MFCD09263468 | 4, 4-Difluorocyclohexanecarboaldehyde | STL555403 | 4, 4-difluoro-cyclohexanecarboxaldehyde | FT-0683966 | 4, 4-DifluoroCyclohexanecarboxaldehyde | DTXSID20463254 | DS-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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: C1CC(CCC1C=O)(F)F
• IUPAC Name: 4,4-difluorocyclohexane-1-carbaldehyde
• InChIKey: DNSDOTKSZMHDOR-UHFFFAOYSA-N
• INCHI: 1S/C7H10F2O/c8-7(9)3-1-6(5-10)2-4-7/h5-6H,1-4H2
• Isómeros SMILES: C1CC(CCC1C=O)(F)F
• Peso molecular: 148.15
• Reaxy-Rn: 15430470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15430470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Aldehyde - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• 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

• Sensibilidad: Air sensitive
• Peso molecular: 148.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.07 Da
• Monoisotopic Mass: 148.07 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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