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3,5-Bis(trifluoromethyl)pyridine is an organofluorine chemical compound with the molecular formula C7H3F6N. It is a fluorinated compound characterized by the presence of trifluoromethyl groups in its molecular structure. This aromatic halide, specifically a pyridine derivative, is typically found as a colorless liquid. Due to its distinct properties, it is widely used in research and industry, but it requires careful handling to avoid potential health risks associated with improper handling or inhalation.

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  • 20857-47-0 Structure
  • Basic information

    1. Product Name: 3,5-BIS(TRIFLUOROMETHYL)PYRIDINE
    2. Synonyms: 3,5-DI(TRIFLUOROMETHYL)PYRIDINE;3,5-BIS(TRIFLUOROMETHYL)PYRIDINE
    3. CAS NO:20857-47-0
    4. Molecular Formula: C7H3F6N
    5. Molecular Weight: 215.1
    6. EINECS: -0
    7. Product Categories: Pyridine;Building Blocks;C7 to C8;Chemical Synthesis;Heterocyclic Building Blocks;Pyridines
    8. Mol File: 20857-47-0.mol
  • Chemical Properties

    1. Melting Point: 34-38 °C
    2. Boiling Point: 117-118°C
    3. Flash Point: 112 °F
    4. Appearance: /
    5. Density: 1.437 g/cm3
    6. Vapor Pressure: 16.5mmHg at 25°C
    7. Refractive Index: 1.375
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. BRN: 1684576
    11. CAS DataBase Reference: 3,5-BIS(TRIFLUOROMETHYL)PYRIDINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3,5-BIS(TRIFLUOROMETHYL)PYRIDINE(20857-47-0)
    13. EPA Substance Registry System: 3,5-BIS(TRIFLUOROMETHYL)PYRIDINE(20857-47-0)
  • Safety Data

    1. Hazard Codes: F,T,Xi
    2. Statements: 11-25-37/38-41
    3. Safety Statements: 26-39-45
    4. RIDADR: UN 2926 4.1/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT, TOXIC
    8. PackingGroup: II
    9. Hazardous Substances Data: 20857-47-0(Hazardous Substances Data)

20857-47-0 Usage

Uses

Used in Chemical Research:
3,5-Bis(trifluoromethyl)pyridine is used as a research compound for studying its unique properties and potential applications in various chemical reactions. Its distinct characteristics make it a valuable subject for scientific investigation.
Used in Pharmaceutical Industry:
3,5-Bis(trifluoromethyl)pyridine is used as an intermediate in the synthesis of various pharmaceutical compounds. Its fluorinated nature and structural features contribute to the development of new drugs with improved properties.
Used in Material Science:
3,5-Bis(trifluoromethyl)pyridine is used as a building block in the creation of advanced materials with specific properties. Its incorporation into materials can lead to enhanced performance in various applications, such as electronics or coatings.
Used in Agrochemical Industry:
3,5-Bis(trifluoromethyl)pyridine is used as a precursor in the development of agrochemicals, such as pesticides and herbicides. Its unique chemical structure can contribute to the creation of more effective and targeted agrochemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 20857-47-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,8,5 and 7 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 20857-47:
(7*2)+(6*0)+(5*8)+(4*5)+(3*7)+(2*4)+(1*7)=110
110 % 10 = 0
So 20857-47-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H

20857-47-0 Well-known Company Product Price

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  • Alfa Aesar

  • (L19447)  3,5-Bis(trifluoromethyl)pyridine, 97%   

  • 20857-47-0

  • 250mg

  • 583.0CNY

  • Detail
  • Alfa Aesar

  • (L19447)  3,5-Bis(trifluoromethyl)pyridine, 97%   

  • 20857-47-0

  • 1g

  • 1742.0CNY

  • Detail
  • Aldrich

  • (665630)  3,5-Bis(trifluoromethyl)pyridine  95%

  • 20857-47-0

  • 665630-250MG

  • 517.14CNY

  • Detail
  • Aldrich

  • (665630)  3,5-Bis(trifluoromethyl)pyridine  95%

  • 20857-47-0

  • 665630-1G

  • 1,655.55CNY

  • Detail

20857-47-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-BIS(TRIFLUOROMETHYL)PYRIDINE

1.2 Other means of identification

Product number -
Other names 3,5-Bis(trifluormethyl)pyridine

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:20857-47-0 SDS

20857-47-0Downstream Products

20857-47-0Relevant articles and documents

Lewis Acidic Boranes, Lewis Bases, and Equilibrium Constants: A Reliable Scaffold for a Quantitative Lewis Acidity/Basicity Scale

Mayer, Robert J.,Hampel, Nathalie,Ofial, Armin R.

supporting information, p. 4070 - 4080 (2021/01/29)

A quantitative Lewis acidity/basicity scale toward boron-centered Lewis acids has been developed based on a set of 90 experimental equilibrium constants for the reactions of triarylboranes with various O-, N-, S-, and P-centered Lewis bases in dichloromethane at 20 °C. Analysis with the linear free energy relationship log KB=LAB+LBB allows equilibrium constants, KB, to be calculated for any type of borane/Lewis base combination through the sum of two descriptors, one for Lewis acidity (LAB) and one for Lewis basicity (LBB). The resulting Lewis acidity/basicity scale is independent of fixed reference acids/bases and valid for various types of trivalent boron-centered Lewis acids. It is demonstrated that the newly developed Lewis acidity/basicity scale is easily extendable through linear relationships with quantum-chemically calculated or common physical–organic descriptors and known thermodynamic data (ΔH (Formula presented.)). Furthermore, this experimental platform can be utilized for the rational development of borane-catalyzed reactions.

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