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METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE, with the molecular formula C6H5F9O2, is a colorless liquid characterized by a fruity odor. It is a highly reactive chemical compound that serves as a reagent in organic synthesis and a building block in the production of pharmaceuticals and agrochemicals. Due to its reactivity, it can be transformed into various compounds with useful properties. However, it requires careful handling as it can cause skin and eye irritation, and exposure to high concentrations may lead to respiratory irritation and central nervous system depression. It is also potentially harmful if ingested or inhaled in large amounts, necessitating proper safety measures during its use.

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  • 360-54-3 Structure
  • Basic information

    1. Product Name: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE
    2. Synonyms: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPANOATE;METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE;hexafluoro-isobutyricacimethylester;methyl3,3,3-trifluoro-2-(trifluoromethyl)propionate;methylhexafluoroisobutyrate;Methyl 2-(trifluoromethyl)-3,3,3-trifluoro-;3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid methyl ester;3,3,3-Trifluoro-2-trifluoromethylpropionic acid methyl ester
    3. CAS NO:360-54-3
    4. Molecular Formula: C5H4F6O2
    5. Molecular Weight: 210.07
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 360-54-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 90-91°C
    3. Flash Point: 60°C
    4. Appearance: /
    5. Density: 1.604
    6. Vapor Pressure: 48.6mmHg at 25°C
    7. Refractive Index: 1.269
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE(360-54-3)
    12. EPA Substance Registry System: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE(360-54-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 36/37/38
    3. Safety Statements: 16-26-36/37/39
    4. RIDADR: 3272
    5. WGK Germany:
    6. RTECS: NQ4690000
    7. HazardClass: 3/6.1
    8. PackingGroup: II
    9. Hazardous Substances Data: 360-54-3(Hazardous Substances Data)

360-54-3 Usage

Uses

Used in Organic Synthesis:
METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE is used as a reagent in organic synthesis for its ability to participate in a range of chemical reactions, enabling the creation of diverse compounds with specific applications.
Used in Pharmaceutical Production:
In the pharmaceutical industry, METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE is utilized as a building block in the development of new drugs, contributing to the synthesis of medicinal compounds that address various health conditions.
Used in Agrochemical Production:
Similarly, in agrochemical manufacturing, METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE serves as a key component in the synthesis of products designed to protect and enhance crop yields, manage pests, and improve agricultural practices.
Each application takes advantage of the compound's unique reactivity and properties to fulfill specific needs within their respective fields.

Check Digit Verification of cas no

The CAS Registry Mumber 360-54-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,6 and 0 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 360-54:
(5*3)+(4*6)+(3*0)+(2*5)+(1*4)=53
53 % 10 = 3
So 360-54-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H4F6O2/c1-13-3(12)2(4(6,7)8)5(9,10)11/h2H,1H3

360-54-3 Well-known Company Product Price

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  • TCI America

  • (M2496)  Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate  >98.0%(GC)

  • 360-54-3

  • 1g

  • 530.00CNY

  • Detail
  • TCI America

  • (M2496)  Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate  >98.0%(GC)

  • 360-54-3

  • 5g

  • 1,820.00CNY

  • Detail

360-54-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate

1.2 Other means of identification

Product number -
Other names methyl 2-trifluoromethyl-3,3,3-trifluoropropanoate

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:360-54-3 SDS

360-54-3Relevant articles and documents

Dehydration of 2-Trifluoromethyl-3,3,3-trifluoropropanol with Base

Misaki, Susumu,Takamatsu, Shuichi

, p. 531 - 534 (1984)

2-Trifluoromethyl-3,3,3-trifluoropropanol gave 2-trifluoromethyl-3,3,3-trifluoroprop-1-ene in good yield by the action of base under mild conditions.

Preparation method of hexafluoroisobutene

-

Paragraph 0039; 0045-0049, (2017/09/21)

The invention discloses a preparation method of hexafluoroisobutene, comprising the steps of (1) reacting heptafluoroisobutene methyl ether, methanol and a halide in type I solvent, cooling after reacting, filtering, rectifying the filtrate to obtain methyl hexafluoroisobutyrate; (2) allowing the methyl hexafluoroisobutyrate of step (1) to react with a reducing agent in type II solvent, quenching with hydrochloric acid after reacting, filtering, rectifying the filtrate to obtain hexafluoroisobutanol; (3) allowing the hexafluoroisobutanol of step (2) to react with an alkali in a molar ratio of 1:(1-10) in type III solvent, collecting the reaction product, and rectifying to obtain finished hexafluoroisobutene. The preparation method has the advantages that the process is simple, the yield is high, the raw materials are low in price and easy to obtain and the preparation method is suitable for industrialization.

Fluorine-containing compounds, and their preparation and use

-

, (2008/06/13)

Process for preparing 2-trifluoro-methyl-3,3,3-trifluoropropene.

α-Fluoroalkyl carboxylic acid esters and process for preparing the same

-

, (2008/06/13)

An α-fluoroalkyl carboxylic acid ester of the general formula STR1 wherein A is R1 R2 COR3 -- or R4 CO--, wherein R1 and R2 are independently hydrogen, alkyl, alkoxyl or phenyl, with or without the formation of a common ring therebetween, R3 is hydrogen or alkyl, R4 and R are independently alkyl, and Rf is fluoroalkyl. The α-fluoroalkyl carboxylic acid ester is prepared by reacting a fluoroalkyl silyl ketene acetal of the formula STR2 wherein R' is alkyl and Rf and R are the same as defined above, with the corresponding acetal, ketone or acyl halide.

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