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

CAS: 434-45-7 Cat. No.: T106660 Molecular Weight: 174.12 Beilstein Registry Number: 1866286 EC Number: 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,Cool

Shipped In

Normal

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504751886
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751886
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 9905
• UN Number: 1224
• Molecular Weight: 174.12
• Beilstein: 1866286

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.458
• Flash Point(°F): 108°F
• Flash Point(°C): 42°C
• Boil Point(°C): 165-166°C
• Melt Point(°C): -40°C
• Molecular Weight: 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

References

1. Ying Jie Liu, Wei Ting Gao, Ai Mei Zhu, Qiu Gen Zhang, Qing Lin Liu.  (2023)  High-performance di-piperidinium-crosslinked poly(p-terphenyl piperidinium) anion exchange membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122045]

2. Zhili Cai, Yitao Liu, Can Wang, Wei Xie, Yang Jiao, Linglong Shan, Peiyuan Gao, Haitao Wang, Shuangjiang Luo.  (2021)  Ladder polymers of intrinsic microporosity from superacid-catalyzed Friedel-Crafts polymerization for membrane gas separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2021.120115]

3. Qian Wang, Lei Huang, Jifu Zheng, Qifeng Zhang, Guorui Qin, Shenghai Li, Suobo Zhang.  (2021)  Design, synthesis and characterization of anion exchange membranes containing guanidinium salts with ultrahigh dimensional stability.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2021.120008]

4. Chuanrui Lu, Chuan Long, Yunxi Li, Ziming Li, Hong Zhu.  (2019)  Chemically stable poly(meta-terphenyl piperidinium) with highly conductive side chain for alkaline fuel cell membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2019.117797]

5. Mohammad Farhadpour, Guimei Liu, Qinglan Zhao, Qihua You, Mingguang Pan, Reza Bagheri, Gholamreza Pircheraghi, Minhua Shao.  (2025)  Crosslinked polyfluorene-based membranes with well-balanced properties for anion exchange membrane fuel cells.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.161203]

6. Huiting Lin, Yichang Ma, Xiaocan Wang, Guiqin Yi, Aimei Zhu, Qinglin Liu, Qiugen Zhang.  (2024)  Highly-conductive proton exchange membrane of sulfonated poly(biphenyl alkylene) copolymers for H2/O2 fuel cell with 2.62 W cm-2 power density.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122479]

7. Xunwang Tang, Zongxue Yu, Junlei Tang, Guangcheng Yang, Xiuzhu Zhang, Yu Chen, Jiajia Hou, Jianjun Wu.  (2025)  Influence of Differences in Bilateral Chain Structure on the Performance of Poly(aryl piperidine) Anion Exchange Membranes for Water Electrolysis.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c03402]

8. Bin Zhang, Hang Zhang, Yaohan Chen, Xiaofeng Li, Shengmin Lv, Panlong Zhou, Jifu Zheng, Shenghai Li, Suobo Zhang.  (2025)  Low-cost hypersulfonated aromatic membranes with weak phase separation for advanced vanadium redox flow batteries.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124845]