4-Phénylcyclohexanone - ≥98% , CAS No.4894-75-1

CAS: 4894-75-1 Cat. No.: P134663 Formule: C₁₂H₁₄O Poids moléculaire: 174.24 Beilstein Registry Number: 7(3)1466 Numéro CE: 225-517-0 PubChem CID: 78605

GRADE & PURITY ≥98%

Synonyms

4-phenyl-cyclohexanone | 4-phenylcyclohexan-1-one | 4-phenyl-1-cyclohexanone | 4-phenylcyclo-hexanone

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

la 4-phénylcyclohexanone subit une réaction catalysée par le Ruthénium avec la tributylamine pour donner de la 2-butyl-4-phénylcyclohexanone et de la 2,6-dibutyl-4-phénylcyclohexanone. La réaction de Wittig de la 4-phénylcyclohexanone avec le (carbéthoxyméthylène)triphénylphosphorane sous irradiation micro-ondes a été étudiée. La 4-phénylcyclohexanone a été utilisée dans la préparation d'un nouveau monomère cardo diamine, le 1,1-bis[4-(4-aminophénoxy)phényl]-4-phénylcyclohexane portant une unité 4-phénylcyclohexylidène

Specifications

Synonymes

4-phenyl-cyclohexanone | 4-phenylcyclohexan-1-one | 4-phenyl-1-cyclohexanone | 4-phenylcyclo-hexanone

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488185601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185601
• Sourires canoniques: C1CC(=O)CCC1C2=CC=CC=C2
• IUPAC Name: 4-phenylcyclohexan-1-one
• InChIKey: YKAYMASDSHFOGI-UHFFFAOYSA-N
• INCHI: 1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
• Isomères SMILES: C1CC(=O)CCC1C2=CC=CC=C2
• WGK Allemagne: 3
• PubChem CID: 78605
• Poids moléculaire: 174.24
• Beilstein: 7(3)1466
• Reaxy-Rn: 2045904

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriétés chimiques et physiques

• Solubilité: Solubility in Methanol almost transparency
• Point d'éclair (°F): 212 °F
• Point d'éclair (°C): 100 °C
• Point de fusion (°C): 77-80℃
• Poids moléculaire: 174.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.104 Da
• Monoisotopic Mass: 174.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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