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N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE is a pyridinium-based chemical compound with the molecular formula C7HF10NO3S. It features a fluorine atom, a trifluoromethyl group, and a sulfonate functional group, which contribute to its strong oxidizing properties. This versatile compound is significant in the realm of organic chemistry and material science, particularly for its applications in the synthesis of pharmaceuticals, agrochemicals, and fluorinated materials.

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  • 147541-08-0 Structure
  • Basic information

    1. Product Name: N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE
    2. Synonyms: MEC-03;DAIKIN MEC-03;N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE;N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULPHONATE
    3. CAS NO:147541-08-0
    4. Molecular Formula: C6H3F4NO3S
    5. Molecular Weight: 245.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 147541-08-0.mol
  • Chemical Properties

    1. Melting Point: 190°C (dec.)
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE(147541-08-0)
    11. EPA Substance Registry System: N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE(147541-08-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 34
    3. Safety Statements: 26-36/37/39
    4. RIDADR: 1759
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 147541-08-0(Hazardous Substances Data)

147541-08-0 Usage

Uses

Used in Organic Synthesis:
N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE is used as a reagent for the fluorination of various organic compounds. Its strong oxidizing properties make it a valuable tool in organic synthesis, facilitating the introduction of fluorine atoms into organic molecules, which can significantly alter their chemical and physical properties.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE is used as a key intermediate in the synthesis of fluorinated drug molecules. The incorporation of fluorine atoms can enhance the drug's metabolic stability, lipophilicity, and overall bioactivity, leading to improved therapeutic efficacy.
Used in Agrochemical Synthesis:
Similarly, in agrochemical synthesis, N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE is utilized as a reagent for the production of fluorinated agrochemicals. The introduction of fluorine can improve the performance of these compounds, such as their insecticidal, herbicidal, or fungicidal properties, and their environmental persistence.
Used in the Development of Fluorinated Materials:
N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE plays a crucial role in the development of fluorinated materials, which have a wide range of applications due to their unique properties, such as high chemical and thermal stability, non-stick surfaces, and low refractive indices. These materials are used in various industries, including electronics, textiles, and coatings.
Used in the Synthesis of Fluorine-Containing Polymers:
In the field of polymer chemistry, N-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINIUM-2-SULFONATE is used as a monomer or a reagent in the synthesis of fluorine-containing polymers. These polymers exhibit exceptional properties, such as resistance to extreme temperatures, chemicals, and radiation, making them suitable for applications in aerospace, automotive, and medical industries.

Check Digit Verification of cas no

The CAS Registry Mumber 147541-08-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,7,5,4 and 1 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 147541-08:
(8*1)+(7*4)+(6*7)+(5*5)+(4*4)+(3*1)+(2*0)+(1*8)=130
130 % 10 = 0
So 147541-08-0 is a valid CAS Registry Number.

147541-08-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-fluoro-5-(trifluoromethyl)pyridin-1-ium-2-sulfonate

1.2 Other means of identification

Product number -
Other names MEC 03

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:147541-08-0 SDS

147541-08-0Downstream Products

147541-08-0Relevant articles and documents

Highly Selective Fluorinating Agents: A Counteranion-Bound N-Fluoropyridinium Salt System

Umemoto, Teruo,Tomizawa, Ginjiro

, p. 6563 - 6570 (2007/10/03)

A series of alkyl- or (trifluoromethyl)-substituted N-fluoropyridinium-2-sulfonates 2a-h, differing in fluotinating power, were synthesized, and assessment was made of the effectiveness of each selective fluorinating agent.N-Fluoropyridinium-3- and -4-sulfonates 3 and 4 were also synthesized.Power-variables 2a-h were found to be highly selective fluorinating agents for a wide range of nucleophilic substrates such as activated aromatics, enol trialkylsilyl and alkyl ethers, active methylene compounds, activated olefins, and sulfides.Thus, phenol, naphthol, phenylurethane, and the trimethylsilyl ether of phenol were exclusively or highly selectively fluorinated at the o-position with 2f-h.Conjugated enol trialkylsilyl ethers of a steroid were regioselectively fluorinated at the 6-position with moderately powerful 2b-e.This regioselectivity increased with the bulkiness of the silyl part, and with the most bulky triisopropylsilyl group exclusive 6-fluorination was achieved.Preferential β-stereoselective fluorination at the 6-position was observed.N-Fluoropyridinium-2-sulfonates were activated with an acid.This acid-catalyzed fluorination led to the preferential p-fluorination of anisole.The present results can be explained based on the capacity of the 2-sulfonate anion to interact with the hydroxy group of phenol or naphthol, NH group of phenylurethane, silicon atoms of silyl ethers, or protons of acids.

Certain substituted N-fluoropyridiniumsulfonates

-

, (2008/06/13)

A substituted N-fluoropyridiniumsulfonate of the formula: STR1 in which R1 is a hydrogen atom, a halogen atom or a C1 -C4 alkyl or haloalkyl group, and R2 is a C1 -C4 alkyl or haloalkyl group, which is an effective fluorinating agent.

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