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CAS

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213203-65-7

3-Fluoro-4-(trifluoromethyl)benzyl bromide, with the molecular formula C8H5BrF4, is a benzyl bromide derivative characterized by the presence of a fluorine atom and a trifluoromethyl group attached to a benzene ring. This chemical compound is recognized for its high reactivity, which is attributed to the electron-withdrawing properties of the fluorine and trifluoromethyl substituents. It serves as a valuable building block in organic synthesis, particularly for the preparation of pharmaceuticals and agrochemicals, and is also acknowledged for its versatility as a reagent in creating a wide array of chemical compounds.

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  • 213203-65-7 Structure

  • Basic information

    1. Product Name: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE
    2. Synonyms: ALPA-BROMO-3-FLUORO-4-(TRIFLUOROMETHYL)TOLUENE;3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE;Fluorotrifluoromethylbenzylbromide;a-Bromo-3-fluoro-4-(trifluoromethyl)toluene;3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97+%;à-bromo-3-fluoro-4-(trifluoromethyl)toluene;3-Fluoro-4-(trifluoromethyl)benzyl bromide 97%;4-(BroMoMethyl)-2-fluoro-1-(trifluoroMethyl)benzene
    3. CAS NO:213203-65-7
    4. Molecular Formula: C8H5BrF4
    5. Molecular Weight: 257.02
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 213203-65-7.mol

  • Chemical Properties

    1. Melting Point: 25-27°C
    2. Boiling Point: 206.8 °C at 760 mmHg
    3. Flash Point: 102.2 °C
    4. Appearance: /
    5. Density: 1.64 g/cm3
    6. Vapor Pressure: 0.334mmHg at 25°C
    7. Refractive Index: 1.472
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Lachrymatory
    11. CAS DataBase Reference: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE(213203-65-7)
    13. EPA Substance Registry System: 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE(213203-65-7)

  • Safety Data

    1. Hazard Codes: C,Xn
    2. Statements: 34-36/37/38-22
    3. Safety Statements: 26-36/37/39
    4. RIDADR: 1760
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 8
    8. PackingGroup: III
    9. Hazardous Substances Data: 213203-65-7(Hazardous Substances Data)

213203-65-7 Usage

Uses

Used in Pharmaceutical Industry:
3-Fluoro-4-(trifluoromethyl)benzyl bromide is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to enhance the reactivity and properties of the resulting compounds. The presence of fluorine and trifluoromethyl groups can improve the pharmacokinetics, such as absorption, distribution, metabolism, and excretion, as well as the pharmacodynamics, including potency and selectivity of the drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Fluoro-4-(trifluoromethyl)benzyl bromide is utilized as a building block for the development of new agrochemicals, such as pesticides and herbicides. Its reactivity allows for the creation of compounds with improved efficacy and selectivity, contributing to more effective and environmentally friendly agricultural solutions.
Used in Organic Synthesis:
3-Fluoro-4-(trifluoromethyl)benzyl bromide is employed as a versatile reagent in organic synthesis for its potential to participate in a range of chemical reactions. Its electron-withdrawing groups facilitate reactions such as nucleophilic substitutions, eliminations, and additions, making it a valuable component in the synthesis of complex organic molecules for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 213203-65-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,3,2,0 and 3 respectively; the second part has 2 digits, 6 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 213203-65:
(8*2)+(7*1)+(6*3)+(5*2)+(4*0)+(3*3)+(2*6)+(1*5)=77
77 % 10 = 7
So 213203-65-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2

213203-65-7 Well-known Company Product Price

  • Brand
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  • Alfa Aesar

  • (B23189)  3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97%   

  • 213203-65-7

  • 1g

  • 969.0CNY

  • Detail

  • Alfa Aesar

  • (B23189)  3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97%   

  • 213203-65-7

  • 5g

  • 3622.0CNY

  • Detail

213203-65-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names JRD-0564

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:213203-65-7 SDS

213203-65-7Relevant articles and documents

Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists

Durner, Anna,Koufaki, Maria,Kritsi, Eftichia,Nicke, Annette,Papakostas, Alexios,T. Pournara, Dimitra,Zoumpoulakis, Panagiotis

, p. 2530 - 2543 (2020/10/19)

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide (56) exhibiting the best potency with an IC50 value of 0.39 μΜ.

Mechanistic Studies into the Oxidative Addition of Co(I) Complexes: Combining Electroanalytical Techniques with Parameterization

Sandford, Christopher,Fries, Lydia R.,Ball, Tyler E.,Minteer, Shelley D.,Sigman, Matthew S.

, p. 18877 - 18889 (2019/11/28)

The oxidative addition of organic electrophiles into electrochemically generated Co(I) complexes has been widely utilized as a strategy to produce carbon-centered radicals when cobalt is ligated by a polydentate ligand. Changing to a bidentate ligand prov

2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS

-

, (2014/08/19)

The present invention provides 2,6,7,8 Substituted Purines as described herein or a pharmaceutically acceptable salt thereof. The representative compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions compris

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