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1-(2,2,2-trifluoroethyl)piperidin-4-one is a chemical compound characterized by its molecular formula C8H12F3NO. It is a colorless, water-white liquid with a strong and persistent odor. 1-(2,2,2-trifluoroethyl)piperidin-4-one is recognized for its use as an intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as a building block in the production of specialized polymers and chemical compounds for a variety of industrial applications. Due to its highly flammable nature and potential health and safety hazards, it requires careful handling and storage.

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  • 81363-14-6 Structure
  • Basic information

    1. Product Name: 1-(2,2,2-trifluoroethyl)piperidin-4-one
    2. Synonyms: 1-(2,2,2-trifluoroethyl)piperidin-4-one;UKRORGSYN-BB BBV-071437;1-(2,2,2-Trifluoroethyl)-4-piperidone
    3. CAS NO:81363-14-6
    4. Molecular Formula: C7H10F3NO
    5. Molecular Weight: 181.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 81363-14-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(2,2,2-trifluoroethyl)piperidin-4-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(2,2,2-trifluoroethyl)piperidin-4-one(81363-14-6)
    11. EPA Substance Registry System: 1-(2,2,2-trifluoroethyl)piperidin-4-one(81363-14-6)
  • 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: 81363-14-6(Hazardous Substances Data)

81363-14-6 Usage

Uses

Used in Pharmaceutical Industry:
1-(2,2,2-trifluoroethyl)piperidin-4-one is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure and properties make it a valuable component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(2,2,2-trifluoroethyl)piperidin-4-one serves as an intermediate in the production of agrochemicals. Its role in this industry is crucial for the development of effective and safe products for agricultural applications, such as pesticides and herbicides.
Used in Polymer Production:
1-(2,2,2-trifluoroethyl)piperidin-4-one is utilized as a building block in the creation of specialized polymers. Its incorporation into polymer structures can enhance their properties, such as stability, durability, and performance, making them suitable for various industrial applications.
Used in Chemical Compounds Synthesis:
1-(2,2,2-trifluoroethyl)piperidin-4-one is also used in the synthesis of various chemical compounds for different industrial applications. Its versatility and reactivity make it an essential component in the production of a wide range of products, from coatings and adhesives to specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 81363-14-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,3,6 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 81363-14:
(7*8)+(6*1)+(5*3)+(4*6)+(3*3)+(2*1)+(1*4)=116
116 % 10 = 6
So 81363-14-6 is a valid CAS Registry Number.

81363-14-6SDS

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 1-(2,2,2-trifluoroethyl)piperidin-4-one

1.2 Other means of identification

Product number -
Other names -

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:81363-14-6 SDS

81363-14-6Relevant articles and documents

1,5,7-TRISUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES

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Paragraph 0259; 0261; 0265; 0268, (2020/08/30)

The present disclosure relates to 1,5,7-trisubstituted isoquinoline derivatives, their preparation and pharmaceutical use. In particular, the present disclosure discloses a compound of formula (I) or a pharmaceutically acceptable salt, stereoisomer, solvate or prodrug thereof, and a preparation method and use thereof. The definitions of the groups in the formula can be found in the specification and claims.

Lead Optimization toward Proof-of-Concept Tools for Huntington's Disease within a 4-(1 H -Pyrazol-4-yl)pyrimidine Class of Pan-JNK Inhibitors

Wityak, John,McGee, Kevin F.,Conlon, Michael P.,Song, Ren Hua,Duffy, Bryan C.,Clayton, Brent,Lynch, Michael,Wang, Gwen,Freeman, Emily,Haber, James,Kitchen, Douglas B.,Manning, David D.,Ismail, Jiffry,Khmelnitsky, Yuri,Michels, Peter,Webster, Jeff,Irigoyen, MacArena,Luche, Michele,Hultman, Monica,Bai, Mei,Kuok, Iokteng D.,Newell, Ryan,Lamers, Marieke,Leonard, Philip,Yates, Dawn,Matthews, Kim,Ongeri, Lynette,Clifton, Steve,Mead, Tania,Deupree, Susan,Wheelan, Pat,Lyons, Kathy,Wilson, Claire,Kiselyov, Alex,Toledo-Sherman, Leticia,Beconi, Maria,Mu?oz-Sanjuan, Ignacio,Bard, Jonathan,Dominguez, Celia

, p. 2967 - 2987 (2015/04/27)

Through medicinal chemistry lead optimization studies focused on calculated properties and guided by X-ray crystallography and computational modeling, potent pan-JNK inhibitors were identified that showed submicromolar activity in a cellular assay. Using in vitro ADME profiling data, 9t was identified as possessing favorable permeability and a low potential for efflux, but it was rapidly cleared in liver microsomal incubations. In a mouse pharmacokinetics study, compound 9t was brain-penetrant after oral dosing, but exposure was limited by high plasma clearance. Brain exposure at a level expected to support modulation of a pharmacodynamic marker in mouse was achieved when the compound was coadministered with the pan-cytochrome P450 inhibitor 1-aminobenzotriazole. (Chemical Presented)

Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors

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Page/Page column 52, (2008/12/04)

The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

Nicotinamide Derivatives

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Page/Page column 19, (2008/12/06)

The present invention relates to compounds of formula (I) and pharmaceutically acceptable salts and solvates thereof, wherein the substituents are as defined herein, compositions containing such compounds and the uses of such compounds for the treatment o

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