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2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE is a white solid that serves as an intermediate in the production of antiarrhythmic N-(Piperidylalkyl)trifluoroethoxybenzamides. It is also a potential impurity in the synthesis of Flecainide, a medication used to treat abnormal heart rhythms.

50778-57-9

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Basic information
1. Product Name: 2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE
2. Synonyms: 2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE;2,5-Bis(2,2,2-trifluoroethoxy)benzoic Acid 2,2,2-Trifluoroethyl Ester
3. CAS NO:50778-57-9
4. Molecular Formula: C₁₃H₉F₉O₄
5. Molecular Weight: 400.19
6. EINECS: N/A
7. Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: 308.6°C at 760 mmHg
3. Flash Point: 135.9°C
4. Appearance: /
5. Density: 1.46g/cm³
6. Vapor Pressure: 0.000674mmHg at 25°C
7. Refractive Index: 1.401
8. Storage Temp.: Refrigerator
9. Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol
10. CAS DataBase Reference: 2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE(CAS DataBase Reference)
11. NIST Chemistry Reference: 2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE(50778-57-9)
12. EPA Substance Registry System: 2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE(50778-57-9)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 50778-57-9(Hazardous Substances Data)

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50778-57-9 Usage

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Used in Pharmaceutical Industry:
2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE is used as an intermediate in the synthesis of antiarrhythmic agents for the treatment of heart conditions. Its role in the production of N-(Piperidylalkyl)trifluoroethoxybenzamides contributes to the development of medications that help regulate heart rhythm and prevent life-threatening arrhythmias.
Additionally, as a potential impurity in the synthesis of Flecainide, it is essential to monitor and control its presence during the manufacturing process to ensure the safety and efficacy of the final drug product. This highlights its importance in maintaining the quality and reliability of pharmaceutical products in the industry.

Check Digit Verification of cas no

The CAS Registry Mumber 50778-57-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,7,7 and 8 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 50778-57:
(7*5)+(6*0)+(5*7)+(4*7)+(3*8)+(2*5)+(1*7)=139
139 % 10 = 9
So 50778-57-9 is a valid CAS Registry Number.

InChI:InChI=1/C13H9F9O4/c14-11(15,16)4-24-7-1-2-9(25-5-12(17,18)19)8(3-7)10(23)26-6-13(20,21)22/h1-3H,4-6H2

50778-57-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name	2,2,2-TRIFLUOROETHYL 2,5-BIS(2,2,2-TRIFLUOROETHOXY)BENZOATE

1.2 Other means of identification

Product number	-
Other names	2,2,2-TRIFLUORO-1-PYRIDIN-3-YL-ETHYLAMINE

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:50778-57-9 SDS

50778-57-9Synthetic route

: 6226-25-1
2,2,2-trifluoroethyl trifluoromethanesulphonate

: 490-79-9
2,5-dihydroxybenzoic acid.

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

Conditions

Conditions	Yield
With potassium hydrogencarbonate In water; acetone

: 37782-46-0
(1-ethylpiperidin-2-yl)methanamine

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-53-9
N-(1-ethyl-piperidin-2-ylmethyl)-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide

: 22990-77-8
C-piperidin-2-yl-methylamine

: 7440-44-0
pyrographite

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-44-8
flecainide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol; isopropyl alcohol; benzene

: 7144-05-0
4-Aminomethylpiperidine

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-51-7
N-piperidin-4-ylmethyl-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide

Conditions

Conditions	Yield
In water

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-49-3
N-(1-piperidin-2-yl-ethyl)-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-54-0
N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,5-bis-(2,2,2-trifluoro-ethoxy)-benzamide

: 37782-46-0
(1-ethylpiperidin-2-yl)methanamine

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57601-85-1
2-[2,5-bis(2,2,2-trifluoroethoxy)benzamidomethyl]-1-ethyl-1-methylpiperidinium iodide

: 22990-77-8
C-piperidin-2-yl-methylamine

: 50778-57-9
2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate

: 57415-44-8
flecainide hydrochloride

Conditions

Conditions	Yield
Stage #1: C-piperidin-2-yl-methylamine; 2,2,2-trifluoroethyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate In benzene at 45℃; for 40h; Stage #2: With hydrogenchloride In isopropyl alcohol at 2℃;	5.68 g

50778-57-9Upstream product

50778-57-9Downstream Products

50778-57-9Relevant academic research and scientific papers

Polyfluoroalkoxy-substituted aromatic carboxylic amides and hydrozides

-

, (2008/06/13)

Acyl halides, esters, amides, hydrazides and salts as well as the acid form derived from aromatic acids substituted by polyfluoroalkoxy groups. These compounds are valuable as synthetic intermediates in the preparation of physiologically active compounds.

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50778-57-9

Basic information

Chemical Properties

Safety Data

50778-57-9 Suppliers

Recommended suppliers

50778-57-9 Usage

Uses

Check Digit Verification of cas no

50778-57-9SDS

SAFETY DATA SHEETS

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

1.Identification

1.1 GHS Product identifier

1.2 Other means of identification

1.3 Recommended use of the chemical and restrictions on use

1.4 Supplier's details

1.5 Emergency phone number

50778-57-9Synthetic route

50778-57-9Upstream product

50778-57-9Downstream Products

50778-57-9Relevant academic research and scientific papers

Polyfluoroalkoxy-substituted aromatic carboxylic amides and hydrozides

-

, (2008/06/13)