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

CAS: 711-38-6 Cat. No.: T162003 Summenformel: C₉H₇F₃O₂ Molekulargewicht: 204.15 Beilstein Registry Number: 8(4)349 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488187883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187883
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
• PubChem CID: 136555
• Molekulargewicht: 204.15
• Beilstein: 8(4)349
• Reaxy-Rn: 1874024

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.5
• Molekulargewicht: 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

Häufig gestellte Fragen

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.