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3H,3H-PERFLUOROOCTANE-2,4-DIONE, commonly known as Fluorocitrate, is an organic perfluorinated compound with the chemical formula C8F14O2. It is a potent inhibitor of the enzyme aconitase, which plays a crucial role in the citric acid cycle. 3H,3H-PERFLUOROOCTANE-2,4-DIONE is primarily used in scientific research to study aconitase and the citric acid cycle, providing valuable insights into cellular metabolism and its regulation.

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  • 261503-40-6 Structure
  • Basic information

    1. Product Name: 3H,3H-PERFLUOROOCTANE-2,4-DIONE
    2. Synonyms: 1,1,1,5,5,6,6,7,7,8,8,8-DODECAFLUOROOCTANE-2,4-DIONE;3H,3H-PERFLUOROOCTANE-2,4-DIONE;3H,3H-PERFLUORO-2,4-OCTANEDIONE;3H,3H-PERFLUOROOCTANE-2,4-DIONE, 97% MIN.
    3. CAS NO:261503-40-6
    4. Molecular Formula: C8H2F12O2
    5. Molecular Weight: 358.08
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 261503-40-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 156.1°Cat760mmHg
    3. Flash Point: 55°C
    4. Appearance: /
    5. Density: 1.624g/cm3
    6. Vapor Pressure: 2.94mmHg at 25°C
    7. Refractive Index: 1.297
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 4.40±0.10(Predicted)
    11. CAS DataBase Reference: 3H,3H-PERFLUOROOCTANE-2,4-DIONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3H,3H-PERFLUOROOCTANE-2,4-DIONE(261503-40-6)
    13. EPA Substance Registry System: 3H,3H-PERFLUOROOCTANE-2,4-DIONE(261503-40-6)
  • Safety Data

    1. Hazard Codes: Xi
    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: 261503-40-6(Hazardous Substances Data)

261503-40-6 Usage

Uses

Used in Scientific Research:
3H,3H-PERFLUOROOCTANE-2,4-DIONE is used as a research tool for studying the enzyme aconitase and the citric acid cycle. Its ability to inhibit aconitase activity allows researchers to investigate the role of this enzyme in cellular metabolism and its potential as a target for therapeutic interventions.
Used in Cancer Research:
In the field of cancer research, 3H,3H-PERFLUOROOCTANE-2,4-DIONE has been explored for its potential use in medical treatments. The inhibition of aconitase by this compound can disrupt the citric acid cycle, which is essential for the energy production and growth of cancer cells. By targeting aconitase, Fluorocitrate may have the potential to inhibit tumor growth and proliferation, offering a novel approach to cancer therapy.
Used in Drug Development:
3H,3H-PERFLUOROOCTANE-2,4-DIONE can be utilized in the development of drugs targeting aconitase or the citric acid cycle. By understanding the mechanism of action of this compound, researchers can design and synthesize new molecules with improved potency, selectivity, and reduced side effects. These drugs could potentially be used in the treatment of various diseases, including cancer, by targeting the metabolic pathways essential for disease progression.
Used in Metabolic Studies:
Fluorocitrate can also be employed in metabolic studies to investigate the role of the citric acid cycle in different physiological and pathological conditions. By inhibiting aconitase, researchers can gain insights into the interplay between cellular metabolism and various biological processes, such as cell growth, differentiation, and apoptosis.

Check Digit Verification of cas no

The CAS Registry Mumber 261503-40-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,6,1,5,0 and 3 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 261503-40:
(8*2)+(7*6)+(6*1)+(5*5)+(4*0)+(3*3)+(2*4)+(1*0)=106
106 % 10 = 6
So 261503-40-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H2F12O2/c9-4(10,2(21)1-3(22)5(11,12)13)6(14,15)7(16,17)8(18,19)20/h1H2

261503-40-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1,1,5,5,6,6,7,7,8,8,8-dodecafluorooctane-2,4-dione

1.2 Other means of identification

Product number -
Other names 3H,3H-Perfluorooctane-2,4-dione

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:261503-40-6 SDS

261503-40-6Downstream Products

261503-40-6Relevant articles and documents

New efficient synthetic routes to trifluoromethyl substituted pyrazoles and corresponding β-diketones

Grünebaum, Mariano,Buchheit, Annika,Günther, Christina,Wiemh?fer, Hans-D.

supporting information, p. 1555 - 1559 (2018/03/29)

An improved and more efficient synthesis procedure for trifluoromethyl substituted pyrazoles, namely 3,5-bis(trifluoromethyl)-1H-pyrazole (1a), 5-(pentafluoroethyl)-3-(trifluoromethyl)-1H-pyrazole (1b), 5-(heptafluoropropyl)-3-(trifluoromethyl)-1H-pyrazol

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