4-Chloro-2-cyclohexylphenol - ≥95% , CAS No.13081-17-9

CAS: 13081-17-9 Cat. No.: C166910 Peso molecular: 210.706 Número EC: 235-988-4

GRADE & PURITY ≥95%

Synonyms

2-Bromo-1-(4-isobutylphenyl)-1-propanone | FT-0618012 | NSC 74762 | EN300-21082 | SCHEMBL561154 | Phenol, 4(?)-chloro-2-cyclohexyl- | 4-chloro-2-cyclohexyl phenol | Phenol, 4-chloro-2-cyclohexyl- | Phenol,4-chloro-2-cyclohexyl- | AKOS009031262 | DTXSID001

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Bromo-1-(4-isobutylphenyl)-1-propanone | FT-0618012 | NSC 74762 | EN300-21082 | SCHEMBL561154 | Phenol, 4(?)-chloro-2-cyclohexyl- | 4-chloro-2-cyclohexyl phenol | Phenol, 4-chloro-2-cyclohexyl- | Phenol, 4-chloro-2-cyclohexyl- | AKOS009031262 | DTXSID001

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504755651
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755651
• Sonrisas canónicas: C1CCC(CC1)C2=C(C=CC(=C2)Cl)O
• IUPAC Name: 4-chloro-2-cyclohexylphenol
• InChIKey: XRUHXAQEOJDPEG-UHFFFAOYSA-N
• INCHI: 1S/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2
• Isómeros SMILES: C1CCC(CC1)C2=C(C=CC(=C2)Cl)O
• Peso molecular: 210.706
• Reaxy-Rn: 2104152
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104152&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cyclohexylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylphenols
• Alternative Parents: P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cyclohexylphenol - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 170-180/18mm °C
• Punto de fusión (°C): 59-60 °C
• Peso molecular: 210.700 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 210.081 Da
• Monoisotopic Mass: 210.081 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 177.000
• 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