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CAS

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379670-42-5

2-ethynyl-5-(trifluoroMethyl)pyridine, an organic compound with the chemical formula C8H4F3N, is a pyridine derivative featuring a trifluoromethyl group and an ethynyl group attached to the pyridine ring. This unique structure and reactivity make it a valuable building block in organic synthesis for creating complex molecules and a potential intermediate in pharmaceutical research and development for the synthesis of new drugs.

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  • 379670-42-5 Structure

  • Basic information

    1. Product Name: 2-ethynyl-5-(trifluoroMethyl)pyridine
    2. Synonyms: 2-ethynyl-5-(trifluoroMethyl)pyridine;[5-(Trifluoromethyl)pyridin-2-yl]acetylene, 6-Ethynyl-alpha,alpha,alpha-trifluoro-3-picoline
    3. CAS NO:379670-42-5
    4. Molecular Formula: C8H4F3N
    5. Molecular Weight: 171.1192696
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 379670-42-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 176.4±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.28±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -0.16±0.22(Predicted)
    10. CAS DataBase Reference: 2-ethynyl-5-(trifluoroMethyl)pyridine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-ethynyl-5-(trifluoroMethyl)pyridine(379670-42-5)
    12. EPA Substance Registry System: 2-ethynyl-5-(trifluoroMethyl)pyridine(379670-42-5)

  • 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: 379670-42-5(Hazardous Substances Data)

379670-42-5 Usage

Uses

Used in Organic Synthesis:
2-ethynyl-5-(trifluoroMethyl)pyridine is used as a building block in organic synthesis for its ability to form more complex molecules. Its unique chemical structure allows for versatile reactions, making it an important tool in the field of organic chemistry.
Used in Pharmaceutical Research and Development:
In the pharmaceutical industry, 2-ethynyl-5-(trifluoroMethyl)pyridine is used as a potential intermediate for the synthesis of new pharmaceutical drugs. Its distinctive properties and reactivity contribute to the development of innovative therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 379670-42-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,7,9,6,7 and 0 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 379670-42:
(8*3)+(7*7)+(6*9)+(5*6)+(4*7)+(3*0)+(2*4)+(1*2)=195
195 % 10 = 5
So 379670-42-5 is a valid CAS Registry Number.

379670-42-5SDS

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 2-Ethynyl-5-(trifluoromethyl)pyridine

1.2 Other means of identification

Product number -
Other names [5-(Trifluoromethyl)pyridin-2-yl]acetylene

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:379670-42-5 SDS

379670-42-5Relevant articles and documents

Light-emitting efficiency tuning of rod-shaped π conjugated systems by donor and acceptor groups

Yamaguchi, Yoshihiro,Tanaka, Takahiro,Kobayashi, Shigeya,Wakamiya, Tateaki,Matsubara, Yoshio,Yoshida, Zen-Ichi

, p. 9332 - 9333 (2007/10/03)

In view of the increasing importance of highly efficient light-emitting materials in chemistry, biological science, and materials science, we investigated the light-emitting efficiency tuning of rod-shaped oligo(p-phenylene ethynylene)s (OPEs, trimeric to pentameric systems) by donor and acceptor groups, so that they emit the very intense fluorescence (Φf ≈ 1.0, log ε ≈ 5) at 460 nm as the desired wavelength region. This goal was achieved by side modification by MeO (donor) groups and end modification by a CN-substituted benzene ring or CF3-substituted pyridine ring (acceptor) of tetrameric p-phenylene ethynylene rod-shaped molecules (Φf = 0.96, λem = 458 nm, log ε = 4.96 for the former and Φf = 0.99, λem = 459 nm, log ε = 4.92 for the latter). The high Φf values for 11 and 12 are interpreted in terms of kr (radiative rate constant) and kd (radiationless rate constant). The linear relationship with a positive slope between Φf and the Hammett σ constant was found for the first time. It is found that kd rather than kr varies with σp-X. The photophysical properties (Φf, λem, λabs, log ε) were not so altered with the solvent polarity, which could be explained by the dipole moments in the excited and ground states. The results would be valuable for the molecular design of highly efficient light-emitting materials. Copyright

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