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Hexanoic acid, 2,2,2-trifluoroethyl ester, also known as 2,2,2-trifluoroethyl hexanoate, is an organic compound with the chemical formula C8H13F3O2. It is an ester derived from hexanoic acid and 2,2,2-trifluoroethanol. This colorless liquid is characterized by its unique chemical structure, which includes a hexanoic acid chain and a trifluoroethyl group. It is used in various applications, such as in the synthesis of pharmaceuticals and as a solvent in chemical reactions. Due to its specific properties, it is important to handle Hexanoic acid, 2,2,2-trifluoroethyl ester with care, following proper safety protocols.

2822-57-3

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2822-57-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2822-57-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,8,2 and 2 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 2822-57:
(6*2)+(5*8)+(4*2)+(3*2)+(2*5)+(1*7)=83
83 % 10 = 3
So 2822-57-3 is a valid CAS Registry Number.

2822-57-3SDS

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 2,2,2-Trifluoroethyl hexanoate

1.2 Other means of identification

Product number -
Other names hexa-N-propyl-N,N'-p-xylylene-di-ammonium,bromide

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:2822-57-3 SDS

2822-57-3Relevant academic research and scientific papers

Preparation method of 2, 2, 2-trifluoroethyl hexanoate

-

Paragraph 0025-0033, (2021/05/19)

The invention relates to a preparation method of 2, 2, 2, 2-trifluoroethyl hexanoate, and belongs to the technical field of battery electrolyte additives. The method comprises the following steps: taking n-hexanoic acid as a raw material, adding a catalyst, heating to 70-90 DEG C, dropwise adding trifluoroethanol, completing dropwise adding within 1-2.5 hours, heating to reflux, refluxing for 3-5 hours, cooling to room temperature, washing the reaction liquid to be neutral, separating the liquid, drying an organic phase, performing suction filtration, performing atmospheric distillation, and collecting fractions at the temperature of 153-154 DEG C, so as to obtain the 2, 2, 2-trifluoroethyl hexanoate. The preparation method is simple, the prepared 2, 2, 2-trifluoroethyl hexanoate is high in yield and purity, and the effect is good when the 2, 2, 2-trifluoroethyl hexanoate is applied to a battery electrolyte.

Preparation and characterization of trifluoroethyl aliphatic carboxylates as co-solvents for the carbonate-based electrolyte of lithium-ion batteries

Lu, Wei,Xie, Kai,Chen, Zhong Xue,Pan, Yi,Zheng, Chun Man

, p. 110 - 119 (2014/05/06)

In this work, a series of trifluoroethyl aliphatic carboxylates with different carbon-chain lengths in acyl group are prepared and investigated as the co-solvents for the carbonate-based electrolyte of lithium-ion batteries. The trifluoroethyl aliphatic carbonates are synthesized by a modified one-step approach, using aliphatic carboxylic acid and trifluoroethanol as the raw materials (molar ratio, 1.2:1), hydrogen ion exchange resin as the catalyst and silica gel drier as the de-hydration. The structure and electrochemical properties of the final products have been characterized by FTIR, 1H NMR, GC-MS, viscosity, conductivity meter and electrochemical measurements. The structure characterizations show that the final products have high purity. Electrochemical tests present that the co-solvents are able to improve the electrochemical performances of graphite electrode at low temperature. In particular, we find that an addition of trifluoroethyl n-hexanoate (TFENH) into 1 M LiPF6/EC + EMC electrolyte can significantly decrease the Li de-intercalation potential of graphite by 540 mV and achieve a high capacity retention of 92% at 218 K. The electrochemical impedance spectroscopy (EIS) measurements indicate that the observed performance improvement at low temperature is associated with the decreased surface film resistance (R SEI) by the addition of co-solvents.

Transition state stabilization by micelles: Thiolysis of p-nitrophenyl alkanoates in cetyltrimethylammonium bromide micelles

Tee,Yazbeck

, p. 1100 - 1108 (2007/10/03)

Thiolysis of p-nitrophenyl esters (acetate to decanoate) by the anion of 2-mercaptoethanol (ME) is catalyzed by micelles of cetyltrimethylammonium bromide (CTAB) in aqueous solution. At fixed [ME], the observed rate constants (k(obs)) show saturation with

Acyl Transfer Mediated by Complexation. The Effect of Cyclodextrins on the Reaction of Nucleophiles with p-Nitrophenyl Acetate and Hexanoate

Tee, Oswald S.,Gadosy, Timothy A.

, p. 2307 - 2312 (2007/10/02)

The kinetics of the cleavage of p-nitrophenyl acetate (pNPA) and p-nitrophenyl hexanoate (pNPH) by trifluoroethanol (TFE), mercaptoethanol, hydroxylamine or imidazole in the presence of α-cyclodextrin, β-cyclodextrin, or hydroxypropyl-β-cyclodextrin (CDs)

Acid-Catalyzed Reaction of 2,2,2-Trifluorodiazoethane for Analysis of Functional Groups by 19F Nuclear Magnetic Resonance Spectrometry

Koller, K. L.,Dorn, H. C.

, p. 529 - 533 (2007/10/02)

The acid-catalyzed reactions of trifluorodiazoethane with alcohols, phenols, thiols, and carboxylic acids are reported.The yield data for these trifluoroethyl derivatives suggest a simple, and in many cases, quantitative method for introduction of a fluorine tagging group.The 19F chemical shifts indicate that most functional groups (e.g., phenols, alcohols, etc.) have fairly well resolved chemical shifts regions.In addition, paramagnetic shift reagents have been utilized to selectively differentiate carboxylic acids from other active hydrogen functional groups.

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