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2-Bromo-5-(trifluoromethyl)benzyl alcohol, also known as BTFMBA, is a chemical compound characterized by the molecular formula C8H6BrF3O. It presents as a white to off-white solid at room temperature and is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals. BTFMBA's unique structure, featuring a bromine atom and a trifluoromethyl group attached to a benzyl alcohol, makes it a versatile building block in organic chemistry, widely used in the production of specialty chemicals and as a reagent in the preparation of various chemical compounds. Its applications span across the fields of medicinal and agricultural chemistry, as well as in the synthesis of organic materials, highlighting its value in these domains.

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  • 869725-53-1 Structure
  • Basic information

    1. Product Name: 2-Bromo-5-(trifluoromethyl)benzyl alcohol
    2. Synonyms: 2-BROMO-5-(TRIFLUOROMETHYL)BENZYL ALCOHOL;(2-bromo-5-(trifluoromethyl)phenyl)methanol;4-Bromo-3-(hydroxymethyl)benzotrifluoride;4-Bromo-3-(hydroxymethyl)benzotrifluoride, [2-Bromo-5-(trifluoromethyl)phenyl]methanol;2-Bromo-5-(trifluoromethyl)ben;Benzenemethanol, 2-bromo-5-(trifluoromethyl)-
    3. CAS NO:869725-53-1
    4. Molecular Formula: C8H6BrF3O
    5. Molecular Weight: 255.03
    6. EINECS: N/A
    7. Product Categories: Fluorine series
    8. Mol File: 869725-53-1.mol
  • Chemical Properties

    1. Melting Point: 69-71°C
    2. Boiling Point: 262.6 °C at 760 mmHg
    3. Flash Point: 112.6 °C
    4. Appearance: /
    5. Density: 1.667 g/cm3
    6. Vapor Pressure: 0.00545mmHg at 25°C
    7. Refractive Index: 1.505
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 13.76±0.10(Predicted)
    11. CAS DataBase Reference: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(869725-53-1)
    13. EPA Substance Registry System: 2-Bromo-5-(trifluoromethyl)benzyl alcohol(869725-53-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 869725-53-1(Hazardous Substances Data)

869725-53-1 Usage

Uses

Used in Pharmaceutical Synthesis:
2-Bromo-5-(trifluoromethyl)benzyl alcohol is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure allows for the development of new pharmaceutical compounds with potential therapeutic benefits.
Used in Agrochemical Production:
In the agrochemical industry, 2-Bromo-5-(trifluoromethyl)benzyl alcohol is utilized as a key intermediate in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural products.
Used in Organic Chemistry as a Building Block:
2-Bromo-5-(trifluoromethyl)benzyl alcohol is used as a versatile building block in organic chemistry for the synthesis of a wide range of specialty chemicals. Its structural features facilitate the creation of diverse chemical entities with specific applications.
Used as a Reagent in Chemical Compound Preparation:
In the field of chemical research and development, 2-Bromo-5-(trifluoromethyl)benzyl alcohol serves as a reagent in the preparation of various chemical compounds. Its reactivity and functional groups make it a valuable component in the synthesis process.
Used in Medicinal Chemistry:
2-Bromo-5-(trifluoromethyl)benzyl alcohol is employed in medicinal chemistry for the development of new pharmaceutical agents. Its unique properties and reactivity contribute to the discovery of innovative therapeutics.
Used in Agricultural Chemistry:
In agricultural chemistry, 2-Bromo-5-(trifluoromethyl)benzyl alcohol is used for the synthesis of compounds that can enhance crop protection and yield. Its role in the development of agrochemicals is crucial for advancing agricultural practices.
Used in the Synthesis of Organic Materials:
2-Bromo-5-(trifluoromethyl)benzyl alcohol is utilized in the synthesis of organic materials, which have applications in various industries, including electronics, materials science, and environmental technology. Its contribution to the development of new materials is significant for technological advancements.

Check Digit Verification of cas no

The CAS Registry Mumber 869725-53-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,9,7,2 and 5 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 869725-53:
(8*8)+(7*6)+(6*9)+(5*7)+(4*2)+(3*5)+(2*5)+(1*3)=231
231 % 10 = 1
So 869725-53-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2

869725-53-1 Well-known Company Product Price

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  • Alfa Aesar

  • (H31777)  2-Bromo-5-(trifluoromethyl)benzyl alcohol, 95%   

  • 869725-53-1

  • 1g

  • 735.0CNY

  • Detail

869725-53-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-5-(Trifluoromethyl)Benzyl Alcohol

1.2 Other means of identification

Product number -
Other names (2-Bromo-5-(trifluoromethyl)phenyl)methanol

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:869725-53-1 SDS

869725-53-1Relevant articles and documents

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A transition-metal-free indole synthesis using radical coupling of 2-halotoluenes and imines via the later-stage C-N bond construction was reported for the first time. It includes an aminyl radical generation by C-H cleaving addition of 2-halotoluenes to imines via the carbanion radical relay and an intramolecular coupling of aryl halides with aminyl radicals. One standard condition can be used for all halides including F, Cl, Br, and I. No extra oxidant or transition metal is required.

Strategy for Overcoming Full Reversibility of Intermolecular Radical Addition to Aldehydes: Tandem C-H and C-O Bonds Cleaving Cyclization of (Phenoxymethyl)arenes with Carbonyls to Benzofurans

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supporting information, p. 3310 - 3313 (2018/06/11)

An intermolecular addition of carbon radicals enabled by a cascade radical coupling strategy is developed. It includes an intermolecular alkyl radical addition to a carbonyl group followed by an intramolecular alkoxy radical addition to haloarenes and produces substituted benzofurans in high yields. The radical nature of this reaction is explored by radical trapping experiments and EPR analysis. The mechanism is investigated by KIE experiments and control experiments. This method could provide rapid and practical access to the key intermediate of TAM-16, a safe and potent antibacterial agent for treating tuberculosis, and, therefore, is of great importance for organic synthesis and the pharmaceutical industry.

An efficient synthesis of 4-isochromanones via Parham-type cyclization with Weinreb amide

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, p. 8172 - 8177 (2015/12/30)

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Intermolecular domino reaction of two Aryl iodides involving two C-H functionalizations

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A palladium-catalyzed intermolecular cross-coupling of two aryl iodides is reported, giving polycyclic ring systems with a high level of convergence and efficiency. Pendulum Reaction: 1 Pd complex catalyzes the intermolecular reaction of 2 aryl iodides to

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Synthesis of benzylisoquinoline derivatives possessing electron-withdrawing substituents on the benzene ring of the isoquinoline skeleton

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, p. 683 - 700 (2008/09/18)

3,4-Dihydrobenzylisoquinolines and 1,2,3,4-tetrahydrobenzyl-isoquinolines possessing electron withdrawing substituents on the benzene ring of the isoquinoline framework are easily accessible by a synthetic approach that takes advantage of a Sonogashira coupling to build up the C1-C8a bond of the isoquinoline skeleton and a Ti-catalyzed intramolecular hydroamination of an alkyne to close the heterocyclic ring.

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, p. 4447 - 4450 (2007/10/03)

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