2,2,2-Trifluoro-2′,4′-dimethoxyacetophenone - ≥97% , CAS No.578-16-5

CAS: 578-16-5 Cat. No.: T467339 Fórmula: C₁₀H₉F₃O₃ Peso molecular: 234.17

GRAU & PUREZA ≥97%

Synonyms

FT-0632427 | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanone | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoro-ethanone | AKOS009156372 | 2',4'-DIMETHOXY-2,2,2-TRIFLUOROACETOPHENONE | A831619 | SCHEMBL1950595 | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-one |

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

FT-0632427 | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanone | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoro-ethanone | AKOS009156372 | 2',4'-DIMETHOXY-2,2,2-TRIFLUOROACETOPHENONE | A831619 | SCHEMBL1950595 | 1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-one |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528755095

Sorrisos canónicos

COC1=CC(=C(C=C1)C(=O)C(F)(F)F)OC

IUPAC Name

1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanone

InChIKey

SLMOFSKRLCGLIX-UHFFFAOYSA-N

INCHI

1S/C10H9F3O3/c1-15-6-3-4-7(8(5-6)16-2)9(14)10(11,12)13/h3-5H,1-2H3

SMILES isoméricas

COC1=CC(=C(C=C1)C(=O)C(F)(F)F)OC

WGK Alemanha

3

Peso molecular

234.17

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: Dimethoxybenzenes Phenoxy compounds 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 - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ether - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): 48-52 °C (lit.)
• Peso molecular: 234.170 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05 Da
• Monoisotopic Mass: 234.05 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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