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

CAS: 13081-17-9 Cat. No.: C166910 Summenformel: C₁₂H₁₅ClO Molekulargewicht: 210.706 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504755651

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755651

Kanonisches Lächeln

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

Isomere SMILES

C1CCC(CC1)C2=C(C=CC(=C2)Cl)O

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Cyclohexylphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 170-180/18mm °C
• Schmelzpunkt (°C): 59-60 °C
• Molekulargewicht: 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