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

CAS: 434-45-7 Cat. No.: T106660 分子式: C₈H₅F₃O 分子量: 174.12 Beilstein Registry Number: 1866286 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 504751886
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751886
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
• WGKドイツ: 3
• PubChem CID: 9905
• UN番号: 1224
• 分子量: 174.12
• Beilstein: 1866286

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.458
• 引火点（°F）: 108°F
• 引火点（°C）: 42°C
• 沸点（°C）: 165-166°C
• 融点（°C）: -40°C
• 分子量: 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

よくある質問

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.