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2561-21-9

Trifluoroacetic acid octyl ester, also known as 2H-Propanone, 1-(1,1,1-trifluoro-2-methoxy-2-oxoethyl)-1-octyl-, is a colorless liquid with a molecular formula of C11H19F3O3 and a molecular weight of 254.26 g/mol. It is an ester derivative of trifluoroacetic acid, where the hydroxyl group is replaced by an octyl group. This chemical is primarily used as a reagent in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. It is known for its ability to act as a protecting group in peptide synthesis and as a coupling agent in the formation of amide bonds. Due to its reactivity and potential hazards, it is important to handle this chemical with care, following appropriate safety protocols.

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  • 2561-21-9 Structure

  • Basic information

    1. Product Name: Trifluoroacetic acid octyl ester
    2. Synonyms: Trifluoroacetic acid octyl ester
    3. CAS NO:2561-21-9
    4. Molecular Formula: C10H17F3O2
    5. Molecular Weight: 226.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2561-21-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 168.2°C at 760 mmHg
    3. Flash Point: 7.8°C
    4. Appearance: /
    5. Density: 1.059g/cm3
    6. Vapor Pressure: 1.64mmHg at 25°C
    7. Refractive Index: 1.39
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Trifluoroacetic acid octyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: Trifluoroacetic acid octyl ester(2561-21-9)
    12. EPA Substance Registry System: Trifluoroacetic acid octyl ester(2561-21-9)

  • 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: 2561-21-9(Hazardous Substances Data)

2561-21-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2561-21-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,6 and 1 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 2561-21:
(6*2)+(5*5)+(4*6)+(3*1)+(2*2)+(1*1)=69
69 % 10 = 9
So 2561-21-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H17F3O2/c1-2-3-4-5-6-7-8-15-9(14)10(11,12)13/h2-8H2,1H3

2561-21-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name octyl 2,2,2-trifluoroacetate

1.2 Other means of identification

Product number -
Other names trifluoroacetoxyoctane

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:2561-21-9 SDS

2561-21-9Relevant articles and documents

Room-temperature Swern oxidations by using a microscale flow system

Kawaguchi, Tatsuya,Miyata, Hiroyuki,Ataka, Kikuo,Mae, Kazuhiro,Yoshida, Jun-Ichi

, p. 2413 - 2416 (2007/10/03)

(Equation Presented) Residence time controlled reaction: The Swern oxidation of alcohols has been accomplished by using a microscale flow system, consisting of micromixers and microscale tube reactors (see schematic representation ; DMSO = dimethylsulfoxide, TFAA = trifluoroacetic anhydride), at higher temperatures (-20 to 20°C) than those for conventional macroscale batch systems (-50°C or below).

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