4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol - ≥97% , CAS No.1256545-48-8

CAS: 1256545-48-8 Cat. No.: D173009 Fórmula: C₇H₁₂F₂O₂ Peso molecular: 166.1658

GRADE & PURITY ≥97%

Synonyms

AS-52016 | SB84019 | SCHEMBL128411 | P14149 | 1256545-48-8 | Cyclohexanemethanol, 4,4-difluoro-1-hydroxy- | 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol | AKOS025289879 | 4,4-difluoro-1-(hydroxymethyl)cyclohexanol | DTXSID501270407 | 4,4-Difluoro-1-hydro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-52016 | SB84019 | SCHEMBL128411 | P14149 | 1256545-48-8 | Cyclohexanemethanol, 4,4-difluoro-1-hydroxy- | 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol | AKOS025289879 | 4,4-difluoro-1-(hydroxymethyl)cyclohexanol | DTXSID501270407 | 4,4-Difluoro-1-hydro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CCC1(CO)O)(F)F
• IUPAC Name: 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol
• InChIKey: UWQNBBJRNAMXKK-UHFFFAOYSA-N
• INCHI: 1S/C7H12F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h10-11H,1-5H2
• Isómeros SMILES: C1CC(CCC1(CO)O)(F)F
• Peso molecular: 166.1658
• Reaxy-Rn: 20907800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20907800&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclohexyl halides Tertiary alcohols Cyclic alcohols and derivatives 1,2-diols Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Cyclohexanol - Tertiary alcohol - Cyclic alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane 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

• Peso molecular: 166.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.081 Da
• Monoisotopic Mass: 166.081 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• 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