2,2,2-Trifluoroacetophenone - ≥98%(GC) , CAS No.434-45-7

CAS: 434-45-7 Cat. No.: T106660 Fórmula: C₈H₅F₃O Peso molecular: 174.12 Beilstein Registry Number: 1866286 Número EC: 207-103-1 PubChem CID: 9905

GRADE & PURITY ≥98%(GC)

Synonyms

2,2-Trifluoroacetophenone | Trifluoroacetophenone | 6T7L1UPY09 | Ethanone,2,2-trifluoro-1-phenyl- | Acetophenone,2,2-trifluoro- | EN300-51325 | Acetophenone, 2,2,2-trifluoro- | alpha,alpha,alpha-Trifluoroacetophenone | F0001-1195 | (Trifluoroacetyl)benzen

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Product Introduction

2,2,2-Trifluoroacetophenone is the starting material for the synthesis of f 3-trifluoromethyl-3-phenyldiazirine. It undergoes asymmetric reduction with optically active Grignard reagent to form 2,2,2-trifluoro-1-phenylethanol. It undergoes condensation with biphenyl, terphenyl, a mixture of biphenyl with terphenyl, phenyl ether and diphenoxybenzophenone to form new aromatic 3F polymers.

Application

2,2,2-Trifluoroacetophenone was used in the synthesis of new fluorinated polymers, having high average molecular weight, high thermal stability and good film-forming properties.

Specifications

Sinónimos

2,2-Trifluoroacetophenone | Trifluoroacetophenone | 6T7L1UPY09 | Ethanone,2,2-trifluoro-1-phenyl- | Acetophenone,2,2-trifluoro- | EN300-51325 | Acetophenone, 2,2,2-trifluoro- | alpha,alpha,alpha-Trifluoroacetophenone | F0001-1195 | (Trifluoroacetyl)benzen

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504751886
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751886
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoro-1-phenylethanone
• InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N
• INCHI: 1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 9905
• Número ONU: 1224
• Peso molecular: 174.12
• Beilstein: 1866286

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Helicobacter pylori (3113 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.458
• Punto de inflamación (°F): 108°F
• Punto de inflamación (°C): 42°C
• Punto de ebullición (°C): 165-166°C
• Punto de fusión (°C): -40°C
• Peso molecular: 174.120 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 174.029 Da
• Monoisotopic Mass: 174.029 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 168.000
• 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

Preguntas frecuentes

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 in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 434-45-7, the molecular formula is C8H5F3O, and the molecular weight is 174.12 g/mol. InChIKey KZJRKRQSDZGHEC-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.