2,2,2-Trifluoro-4'-methoxyacetophenone - ≥98%(GC) , CAS No.711-38-6

CAS: 711-38-6 Cat. No.: T162003 Formule: C₉H₇F₃O₂ Poids moléculaire: 204.15 Beilstein Registry Number: 8(4)349 Numéro CE: 633-241-0 PubChem CID: 136555

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0632865 | NSC 55522 | AC-27939 | ETHANONE, 2,2,2-TRIFLUORO-1-(4-METHOXYPHENYL)- | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone | 2,2,2-Trifluoro-1-(4-methoxy-phenyl)-ethanone | 2,2,2-trifluoro-1-(4-methoxyphenyl)-ethanone | 4'-Methoxy-2,2,2-trifluoroace

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0632865 | NSC 55522 | AC-27939 | ETHANONE, 2,2,2-TRIFLUORO-1-(4-METHOXYPHENYL)- | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone | 2,2,2-Trifluoro-1-(4-methoxy-phenyl)-ethanone | 2,2,2-trifluoro-1-(4-methoxyphenyl)-ethanone | 4'-Methoxy-2,2,2-trifluoroace

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488187883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187883
• Sourires canoniques: COC1=CC=C(C=C1)C(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone
• InChIKey: NCJZVRPXSSYDBG-UHFFFAOYSA-N
• INCHI: 1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3
• Isomères SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
• PubChem CID: 136555
• Poids moléculaire: 204.15
• Beilstein: 8(4)349
• Reaxy-Rn: 1874024

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ether - Organic oxide - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.5
• Poids moléculaire: 204.150 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.04 Da
• Monoisotopic Mass: 204.04 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 711-38-6, the molecular formula is C9H7F3O2, and the molecular weight is 204.15 g/mol. InChIKey NCJZVRPXSSYDBG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.