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3-(4-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE is a synthetic organofluorine compound with the chemical formula C9H6ClF3O. It features a propyl group attached to a ketone functional group and a 4-chlorophenyl ring. Known for its high reactivity and unique chemical properties, 3-(4-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE serves as a versatile intermediate in various chemical reactions. Its strong nucleophilic and electrophilic characteristics make it a valuable starting material in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. However, due to potential health hazards and environmental impacts, careful handling and storage are required.

79611-55-5

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79611-55-5 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE is used as a starting material for the synthesis of various pharmaceutical compounds. Its unique chemical properties and high reactivity make it a valuable intermediate in the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical industry, 3-(4-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE is utilized as a key component in the synthesis of agrochemicals. Its strong nucleophilic and electrophilic characteristics contribute to the development of effective pesticides and other agricultural chemicals.
Used in Research and Development:
3-(4-CHLOROPHENYL)-1,1,1-TRIFLUORO-2-PROPANONE is employed in research and development processes due to its unique chemical properties. It serves as a versatile intermediate for various chemical reactions, enabling scientists to explore new synthetic pathways and develop innovative compounds for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 79611-55-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,6,1 and 1 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 79611-55:
(7*7)+(6*9)+(5*6)+(4*1)+(3*1)+(2*5)+(1*5)=155
155 % 10 = 5
So 79611-55-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H6ClF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4H,5H2

79611-55-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-one

1.2 Other means of identification

Product number -
Other names 3-(4-Chlorophenyl)-1,1,1-trifluoro-2-propanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:79611-55-5 SDS

79611-55-5Relevant academic research and scientific papers

Highly efficient synthesis of chiral α-CF3 amines via Rh-catalyzed asymmetric hydrogenation

Jiang, Jun,Lu, Wenxin,Lv, Hui,Zhang, Xumu

supporting information, p. 1154 - 1156 (2015/03/14)

Highly enantioselective catalytic asymmetric hydrogenation of α-CF3-enamides has been achieved by employing rhodium-DuanPhos as the catalyst, which provides a readily accessible method for the synthesis of chiral trifluoromethylated amines. The reaction has a broad substrate scope; both aryl- and alkyl-substituted α-CF3-enamides worked smoothly and afford the corresponding chiral amines in high yields and excellent enantioselectivities (up to 99% ee).

Synthesis of trifluoromethyl ketones via tandem Claisen condensation and retro-Claisen C-C bond-cleavage reaction

Yang, Dongmei,Zhou, Yuhan,Xue, Na,Qu, Jingping

, p. 4171 - 4176 (2013/06/05)

A highly efficient, operationally simple approach to trifluoromethyl ketones has been developed that builds on the use of a tandem process involving Claisen condensation and retro-Claisen C-C bond cleavage reaction. Enolizable alkyl phenyl ketones were found to react readily with ethyl trifuoroacetate under the promotion of NaH to afford trifluoroacetic ester/ketone exchange products, trifluoromethyl ketones, which were quite different from the general Claisen condensation products, β-diketones. This procedure uses readily available starting materials and can be extended to the preparation of perfluoroalkyl ketones in excellent yield.

Synthesis of trifluoromethyl alcohols from tert-butoxy-β-(trifluoromethyl)styrenes and trifluoromethylbenzyl ketones under the conditions of the Leuckart-Wallach reaction

Muzalevskiy, Vasiliy M.,Nenajdenko, Valentine G.,Shastin, Aleksey V.,Balenkova, Elizabeth S.,Haufe, Günter

experimental part, p. 1052 - 1055 (2009/04/04)

A novel pathway towards trifluoromethylalcohols by an unexpected reaction of tert-butoxy-β-(trifluoromethyl)styrenes or corresponding trifluoromethylbenzyl ketones under the conditions of the Leuckart-Wallach reaction was elaborated.

The Synthesis of Pyrroles with Insecticidal Activity

Kuhn, David G.,Kamhi, Victor M.,Furch, Joseph A.,Diehl, Robert E.,Lowen, Gregory T.,Kameswaran, Venkataraman

, p. 279 - 286 (2007/10/03)

The 2-aryl-4-bromo-5-trifluoromethylpyrrole-3-carbonitriles represent a new class of insect control agents. The high insecticidal activity observed in this series prompted us to investigate the preparation of regioisomeric arylhalotrifluoromethylpyrrole c

Bis- and tris(trifluoromethyl)arylpyrrole insecticidal and acaricidal agents

-

, (2008/06/13)

Bis- and tris(trifluoromethyl)arylpyrrole compounds which are effective for the control of insects and acarids are described. A method for the insecticidal and acaricidal use of said compounds and methods for the preparation of said compounds are presente

Process for the preparation of insecticidal, nematicidal and acaricidal 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds

-

, (2008/06/13)

There is provided a process for the preparation of 4-substituted-5-(trifluoromethyl)pyrrole-3-carbonitrile compounds which are useful as insecticidal, nematicidal and acaricidal agents.

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