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5-Trifluoromethyl-pyridine-2-carbaldehyde is a chemical compound characterized by a pyridine ring with a trifluoromethyl group and an aldehyde group substitution. It is recognized for its versatility in chemical reactions and its trifluoromethyl group, which endows the molecule with distinctive properties. This makes it a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, as well as a synthetic intermediate in organic chemistry.

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  • 31224-82-5 Structure
  • Basic information

    1. Product Name: 5-Trifluoromethyl-pyridine-2-carbaldehyde
    2. Synonyms: 5-Trifluoromethyl-pyridine-2-carbaldehyde;5-(trifluoromethyl)picolinaldehyde;5-Trifluoromethyl-Pyridine-2-Carbaldehyde 5-Trifluoromethyl-Pyridine-2-Carbaldehyde;Picolinaldehyde, 5-(trifluoromethyl)-
    3. CAS NO:31224-82-5
    4. Molecular Formula: C7H4F3NO
    5. Molecular Weight: 175.11
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 31224-82-5.mol
  • Chemical Properties

    1. Melting Point: 31-33℃
    2. Boiling Point: 197.46ºC at 760 mmHg
    3. Flash Point: 73.222ºC
    4. Appearance: /
    5. Density: 1.37g/cm3
    6. Vapor Pressure: 0.378mmHg at 25°C
    7. Refractive Index: 1.476
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 1.30±0.10(Predicted)
    11. Sensitive: Air Sensitive
    12. CAS DataBase Reference: 5-Trifluoromethyl-pyridine-2-carbaldehyde(CAS DataBase Reference)
    13. NIST Chemistry Reference: 5-Trifluoromethyl-pyridine-2-carbaldehyde(31224-82-5)
    14. EPA Substance Registry System: 5-Trifluoromethyl-pyridine-2-carbaldehyde(31224-82-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT, AIR SENSITIVE
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 31224-82-5(Hazardous Substances Data)

31224-82-5 Usage

Uses

Used in Pharmaceutical Industry:
5-Trifluoromethyl-pyridine-2-carbaldehyde is used as a building block for the synthesis of various pharmaceuticals due to its ability to participate in a range of chemical reactions, such as Mannich and Knoevenagel condensations. Its unique trifluoromethyl group contributes to the development of novel drug candidates with improved properties.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Trifluoromethyl-pyridine-2-carbaldehyde serves as a key intermediate in the synthesis of agrochemicals, leveraging its reactivity and the distinctive properties conferred by the trifluoromethyl group to create effective and innovative products for crop protection and other agricultural applications.
Used in Fine Chemicals Industry:
5-Trifluoromethyl-pyridine-2-carbaldehyde is utilized as a synthetic intermediate in the production of fine chemicals, where its chemical versatility and the unique characteristics of the trifluoromethyl group are harnessed to create high-value specialty chemicals for various applications.
Used in Organic Chemistry Research:
As a synthetic intermediate, 5-Trifluoromethyl-pyridine-2-carbaldehyde is also used in organic chemistry research to explore new reaction pathways, develop novel synthetic methods, and understand the influence of the trifluoromethyl group on molecular properties and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 31224-82-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,2,2 and 4 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 31224-82:
(7*3)+(6*1)+(5*2)+(4*2)+(3*4)+(2*8)+(1*2)=75
75 % 10 = 5
So 31224-82-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H4F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-4H

31224-82-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Alfa Aesar

  • (H31858)  5-(Trifluoromethyl)pyridine-2-carboxaldehyde, 95%   

  • 31224-82-5

  • 250mg

  • 2393.0CNY

  • Detail
  • Alfa Aesar

  • (H31858)  5-(Trifluoromethyl)pyridine-2-carboxaldehyde, 95%   

  • 31224-82-5

  • 1g

  • 6637.0CNY

  • Detail

31224-82-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(trifluoromethyl)pyridine-2-carbaldehyde

1.2 Other means of identification

Product number -
Other names 5-(TRIFLUOROMETHYL)PICOLINALDEHYDE

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:31224-82-5 SDS

31224-82-5Relevant articles and documents

INHIBITOR COMPOUNDS

-

Page/Page column 63; 142-143, (2021/01/29)

The disclosure relates to heterocyclic compounds and methods for their preparation. The disclosure provides compounds that may have beneficial therapeutic activity in the treatment of a disease or condition mediated by excessive or otherwise undesirable Des1 and/or fibrotic activity.

CARBOLINE ANTIPARASITICS

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Page/Page column 44, (2017/01/09)

The present invention provides Formula (1 ) compounds that are gamma-carbolines, Formula (1) wherein R1 a, R1 b, R1 c, R1d, R2, R3, and "— " are as defined herein; veterinary acceptable salts thereof, and stereoisomers thereof, which act as parasiticides,

NOVEL COMPOUNDS

-

, (2015/09/22)

The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein L, X, Ra, Rb, R1, R2 and R3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

SPIROINDOLINE ANTIPARASITIC DERIVATIVES

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Page/Page column 153; 154, (2015/07/15)

The invention describes novel spiropiperidines of Formula (1A), (1B), and (1C) stereoisomers thereof, veterinarily acceptable salts thereof, compositions thereof, processes for making, and their use in animals as an antiparasitic. The variables A, R1, R2, R3, R4, v, m, 5, and n are as described herein.

Synthesis and structure-activity relationships of varied ether linker analogues of the antitubercular drug (6 S)-2-nitro-6-{[4-(trifluoromethoxy) benzyl]oxy}-6,7-dihydro-5 H -imidazo[2,1- b ][1,3]oxazine (PA-824)

Thompson, Andrew M.,Sutherland, Hamish S.,Palmer, Brian D.,Kmentova, Iveta,Blaser, Adrian,Franzblau, Scott G.,Wan, Baojie,Wang, Yuehong,Ma, Zhenkun,Denny, William A.

supporting information; experimental part, p. 6563 - 6585 (2011/12/02)

New analogues of antitubercular drug PA-824 were synthesized, featuring alternative side chain ether linkers of varying size and flexibility, seeking drug candidates with enhanced metabolic stability and high efficacy. Both α-methyl substitution and removal of the benzylic methylene were broadly tolerated in vitro, with a biaryl example of the latter class exhibiting an 8-fold better efficacy than the parent drug in a mouse model of acute Mycobacterium tuberculosis infection and negligible fragmentation to an alcohol metabolite in liver microsomes. Extended linkers (notably propenyloxy, propynyloxy, and pentynyloxy) provided greater potencies against replicating M. tb (monoaryl analogues), with propynyl ethers being most effective under anaerobic (nonreplicating) conditions (mono/biaryl analogues). For benzyloxybenzyl and biaryl derivatives, aerobic activity was maximal with the original (OCH2) linker. One propynyloxy-linked compound displayed an 89-fold higher efficacy than the parent drug in the acute model, and it was slightly superior to antitubercular drug OPC-67683 in a chronic infection model.

TRPV1 ANTAGONISTS

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Page/Page column 26, (2009/05/28)

Compounds of formula (I) wherein R1, R2, R4, and W are defined in the description are TRPV 1 antagonists with CNS penetration. Compositions comprising such compounds and methods for treating conditions and disorders using

Biaryl derived amide modulators of vanilloid VR1 receptor

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Page/Page column 35, (2010/11/24)

The invention is directed to novel vanilloid receptor type 1 (VR1) ligands. More specifically, the invention relates to novel biaryl-derived amides that are potent antagonists or agonists of VR1. Pharmaceutical and veterinary compositions and methods of treating mild to severe pain and various diseases using compounds of the invention are also described.

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