Welcome to LookChem.com Sign In|Join Free

CAS

  • or
4-(Trifluoromethoxy)benzoyl acetonitrile, a synthetic chemical compound with the molecular formula C11H6F3NO2, belongs to the class of organofluorines and nitriles. It is characterized by the presence of fluorine and a triple bond between carbon and nitrogen. 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE is primarily utilized as an intermediate or building block in the synthesis of more complex organic molecules. Due to its potential hazards, it requires careful handling. Its physical characteristics, including molecular weight, boiling point, melting point, and specific optical rotation, are detailed to describe its properties.

122454-46-0 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 122454-46-0 Structure
  • Basic information

    1. Product Name: 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE
    2. Synonyms: BUTTPARK 81\09-11;3-OXO-3-[4-(TRIFLUOROMETHOXY)PHENYL]PROPANENITRILE;4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE;4-(Trifluoromethoxy)benzoylacetonitrile 97%;4-(Trifluoromethoxy)benzoylacetonitrile97%;3-CHLORO-2-6-(TRIFLUOROMETHYL)PHENYL ACETONITRILE;3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionitrile;3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionitrile, 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
    3. CAS NO:122454-46-0
    4. Molecular Formula: C10H6F3NO2
    5. Molecular Weight: 229.16
    6. EINECS: N/A
    7. Product Categories: Nitrile
    8. Mol File: 122454-46-0.mol
  • Chemical Properties

    1. Melting Point: 82-84°C
    2. Boiling Point: 315.4 °C at 760 mmHg
    3. Flash Point: 144.6 °C
    4. Appearance: /
    5. Density: 1.338 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE(122454-46-0)
    11. EPA Substance Registry System: 4-(TRIFLUOROMETHOXY)BENZOYL ACETONITRILE(122454-46-0)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36/37/39
    4. RIDADR: 3439
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: TOXIC
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 122454-46-0(Hazardous Substances Data)

122454-46-0 Usage

Uses

Used in Chemical Synthesis:
4-(Trifluoromethoxy)benzoyl acetonitrile is used as a chemical intermediate for the synthesis of more complex organic molecules. Its unique structure and properties make it a valuable component in various chemical reactions, contributing to the formation of desired products.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(Trifluoromethoxy)benzoyl acetonitrile is used as a building block for the development of new drugs. Its incorporation into drug molecules can enhance their efficacy, selectivity, and pharmacokinetic properties, leading to improved therapeutic outcomes.
Used in Agrochemical Industry:
4-(Trifluoromethoxy)benzoyl acetonitrile is also utilized in the agrochemical industry as a precursor for the synthesis of various agrochemicals, such as pesticides and herbicides. Its unique properties can contribute to the development of more effective and environmentally friendly agrochemicals.
Used in Material Science:
In the field of material science, 4-(Trifluoromethoxy)benzoyl acetonitrile is employed as a component in the synthesis of advanced materials with specific properties. Its incorporation into polymers, for example, can improve their thermal stability, mechanical strength, and other desirable characteristics.
Overall, 4-(Trifluoromethoxy)benzoyl acetonitrile plays a crucial role in various industries, primarily as a versatile intermediate in the synthesis of complex organic molecules, new drugs, agrochemicals, and advanced materials. Its unique properties and potential applications make it an important compound in the field of chemistry and related industries.

Check Digit Verification of cas no

The CAS Registry Mumber 122454-46-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,4,5 and 4 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 122454-46:
(8*1)+(7*2)+(6*2)+(5*4)+(4*5)+(3*4)+(2*4)+(1*6)=100
100 % 10 = 0
So 122454-46-0 is a valid CAS Registry Number.

122454-46-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(Trifluoromethoxy)benzoyl acetonitrile

1.2 Other means of identification

Product number -
Other names 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile

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:122454-46-0 SDS

122454-46-0Relevant articles and documents

Selective Synthesis of β-Ketonitriles via Catalytic Carbopalladation of Dinitriles

Zeng, Ge,Liu, Jichao,Shao, Yinlin,Zhang, Fangjun,Chen, Zhongyan,Lv, Ningning,Chen, Jiuxi,Li, Renhao

, p. 861 - 867 (2021/01/09)

A practical, convenient, and highly selective method of synthesizing β-ketonitriles from the Pd-catalyzed addition of organoboron reagents to dinitriles has been developed. This method provides excellent functional-group tolerance, a broad scope of substrates, and the convenience of using commercially available substrates. The method is expected to show further utility in future synthetic procedures.

A Pd-catalyzed asymmetric allylic substitution cascade: Via an asymmetric desymmetrization for the synthesis of bicyclic dihydrofurans

Xu, Kai,Liu, Hao,Hou, Yilin,Shen, Jiefeng,Liu, Delong,Zhang, Wanbin

supporting information, p. 13295 - 13298 (2019/11/13)

A Pd-catalyzed asymmetric allylic substitution cascade of allylic meso-dicarbonates with 3-oxo-nitriles has been developed for the synthesis of chiral bicyclic dihydrofurans bearing two vicinal carbon stereocenters. The reaction proceeds via an asymmetric desymmetrization process with the desired products being obtained in high yields and with up to 97% ee. The reaction was performed on a gram-scale and the corresponding bicyclic dihydrofurans could undergo several transformations. The methodology provides an efficient synthetic route to biologically active chiral bicyclic dihydrofurans derivatives.

Arylpropanolamines incorporating an antioxidant function as neuroprotective agents

Joubran, Lida,Jackson, W. Roy,Campi, Eva M.,Robinson, Andrea J.,Wells, Bradley A.,Godfrey, Peter D.,Callaway, Jennifer K.,Jarrott, Bevyn

, p. 597 - 605 (2007/10/03)

A series of arylpropanolamines containing dipyrrolidinylpyrimidines as an antioxidant function have been synthesized and evaluated as dual function neuroprotective agents. Their in vitro efficacy as sodium channel blocking agents and antioxidants has been evaluated and compared with those of the ethanolamine derivative (1), which has been shown to be neuroprotective in a rat model of stroke. The ability of the present compounds to displace 3H-BTX toxin from sodium-ion channels in a rat brain membrane fraction was shown to be largely independent of the substituents on the aryl ring, which suggests that this activity may be mainly associated with the aminopyrimidine moiety. Structure-activity relationships for antioxidant efficacy were less clear, but the unsymmetrical pyrimidines were consistently more active than their symmetrical isomers. A brief theoretical investigation of this observation is reported.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 122454-46-0