3′,4′-Dimethyl-2,2,2-trifluoroacetophenone - ≥98% , CAS No.75833-26-0

CAS: 75833-26-0 Cat. No.: D353215 Summenformel: C₁₀H₉F₃O Molekulargewicht: 202.18

QUALITÄT & REINHEIT ≥98%

Synonyms

MFCD01319987 | DTXSID40374439 | Ethanone,1-(3,4-dimethylphenyl)-2,2,2-trifluoro-(9ci) | 1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanone | AB08932 | 1-(3,4-dimethylphenyl)- 2,2,2-trifluoroethan-1-one | EN300-1936139 | SCHEMBL10494608 | A865612 | AKOS0122587

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

MFCD01319987 | DTXSID40374439 | Ethanone,1-(3,4-dimethylphenyl)-2,2,2-trifluoro-(9ci) | 1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanone | AB08932 | 1-(3,4-dimethylphenyl)- 2,2,2-trifluoroethan-1-one | EN300-1936139 | SCHEMBL10494608 | A865612 | AKOS0122587

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488193102

Kanonisches Lächeln

CC1=C(C=C(C=C1)C(=O)C(F)(F)F)C

IUPAC Name

1-(3,4-dimethylphenyl)-2,2,2-trifluoroethanone

InChIKey

AJVJGZSCQYMMDI-UHFFFAOYSA-N

INCHI

1S/C10H9F3O/c1-6-3-4-8(5-7(6)2)9(14)10(11,12)13/h3-5H,1-2H3

Isomere SMILES

CC1=C(C=C(C=C1)C(=O)C(F)(F)F)C

Molekulargewicht

202.18

Reaxy-Rn

3650000

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3650000&ln=

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: o-Xylenes Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - O-xylene - Xylene - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 202.170 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 202.061 Da
• Monoisotopic Mass: 202.061 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 75833-26-0, the molecular formula is C10H9F3O, and the molecular weight is 202.18 g/mol. InChIKey AJVJGZSCQYMMDI-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.