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5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic acid is a chemical compound characterized by the presence of a chloro and trifluoromethyl group attached to a pyridine ring, with a carboxylic acid functional group. This molecule is known for its unique structural features and potential applications in various fields.

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  • 796090-31-8 Structure
  • Basic information

    1. Product Name: 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid
    2. Synonyms: 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid;5-Chloro-4-(trifluoroMethyl)picolinic acid;5-Chloro-4-(trifluoromethyl)pyridine-2-carboxylic acid
    3. CAS NO:796090-31-8
    4. Molecular Formula: C7H3ClF3NO2
    5. Molecular Weight: 225.5524296
    6. EINECS: 937-991-2
    7. Product Categories: N/A
    8. Mol File: 796090-31-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 322.4±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.603±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 2.98±0.10(Predicted)
    10. CAS DataBase Reference: 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid(796090-31-8)
    12. EPA Substance Registry System: 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid(796090-31-8)
  • 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: 796090-31-8(Hazardous Substances Data)

796090-31-8 Usage

Uses

Used in Pharmaceutical Industry:
5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic acid is used as a model substrate for regioexhaustive functionalization, which is a process that allows for the selective modification of specific functional groups in a molecule. This is particularly important in the pharmaceutical industry, where the synthesis of complex molecules with specific biological activities is required.
Used in Chemical Research:
In the field of chemical research, 5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic acid serves as a valuable model compound for studying the reactivity and selectivity of various chemical reactions. This helps researchers to develop new synthetic methods and improve existing ones, ultimately contributing to the advancement of chemical science.
Used in Material Science:
5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic acid can also be utilized in material science for the development of new materials with specific properties. The unique structural features of 5-Chloro-4-(trifluoroMethyl)-2-pyridinecarboxylic acid can be exploited to create materials with improved performance in various applications, such as sensors, catalysts, or advanced materials for electronics and energy storage.
Overall, 5-Chloro-4-(trifluoromethyl)-2-pyridinecarboxylic acid is a versatile chemical compound with a wide range of applications across different industries, including pharmaceuticals, chemical research, and material science. Its unique structural features and potential for functionalization make it an important molecule for further exploration and development.

Check Digit Verification of cas no

The CAS Registry Mumber 796090-31-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,9,6,0,9 and 0 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 796090-31:
(8*7)+(7*9)+(6*6)+(5*0)+(4*9)+(3*0)+(2*3)+(1*1)=198
198 % 10 = 8
So 796090-31-8 is a valid CAS Registry Number.
InChI:InChI=1S/C7H3ClF3NO2/c8-4-2-12-5(6(13)14)1-3(4)7(9,10)11/h1-2H,(H,13,14)

796090-31-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-chloro-4-(trifluoromethyl)pyridine-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 5-CHLORO-4-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYLIC ACID

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:796090-31-8 SDS

796090-31-8Downstream Products

796090-31-8Relevant articles and documents

BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY

-

, (2015/06/25)

The present invention provides compounds and compositions thereof which are useful as inhibitors of Bruton's tyrosine kinase and which exhibit desirable characteristics for the same.

Three chloro(trifluoromethyl)pyridines as model substrates for regioexhaustive functionalization

Cottet, Fabrice,Schlosser, Manfred

, p. 3793 - 3798 (2007/10/03)

As a further test of the concept of regioexhaustive functionalization, 2-chloro-6-(trifluoromethyl)pyridine, 2-chloro-5-(trifluoromethyl)pyridine and 3-chloro-4-(trifluoromethyl)-pyridine were each converted into the three possible carboxylic acids 2, 4, 6, 8, 10, 12, 16, 17 and 20. This was achieved by employing several, but not all of the organometallic "tool-box methods": transformation of a more basic organometallic species into a less basic isomer by transmetalation-equilibration, site discriminating deprotonation with lithium N,N-diisopropylamide or lithium 2,2,6,6- tetramethylpiperidide, regio-divergent iodine migration and steric screening of acidic positions by a bulky trialkylsilyl group. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.

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