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1-Bromo-2-difluoromethylbenzene, also known as 2-Bromo-1-(difluoromethyl)benzene, is a chemical compound with the molecular formula C7H5BrF2. It is a colorless liquid that serves as an important intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. This versatile building block is also utilized in the production of polymers and materials, highlighting its significance in the chemical industry.

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  • 845866-82-2 Structure
  • Basic information

    1. Product Name: 1-Bromo-2-difluoromethylbenzene
    2. Synonyms: 1-Bromo-2-(difluoromethyl)benzene, 2-Bromo-alpha,alpha-difluorotoluene;2-Bromobenzal fluoride;2-Bromo-1-(difluoromethyl)benzene
    3. CAS NO:845866-82-2
    4. Molecular Formula: C7H5BrF2
    5. Molecular Weight: 207.02
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 845866-82-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 197.2°C at 760 mmHg
    3. Flash Point: 82℃
    4. Appearance: Clear colorless/Liquid
    5. Density: 1.597 g/mL at 25 °C
    6. Vapor Pressure: 0.539mmHg at 25°C
    7. Refractive Index: n20/D1.514
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-Bromo-2-difluoromethylbenzene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Bromo-2-difluoromethylbenzene(845866-82-2)
    12. EPA Substance Registry System: 1-Bromo-2-difluoromethylbenzene(845866-82-2)
  • Safety Data

    1. Hazard Codes: Xi,N
    2. Statements: 36/37/38-51/53
    3. Safety Statements: 26-61
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 845866-82-2(Hazardous Substances Data)

845866-82-2 Usage

Uses

Used in Pharmaceutical Industry:
1-Bromo-2-difluoromethylbenzene is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be readily incorporated into complex molecular structures. Its unique combination of bromine and difluoromethyl groups allows for the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 1-Bromo-2-difluoromethylbenzene is employed as a precursor in the production of various agrochemicals, such as pesticides and herbicides. Its reactivity and functional groups enable the creation of compounds that can effectively control and manage pests and weeds in agricultural settings.
Used in Polymer and Material Science:
1-Bromo-2-difluoromethylbenzene is used as a building block in the synthesis of polymers and materials, contributing to the development of advanced materials with specific properties. Its incorporation into polymer structures can enhance characteristics such as thermal stability, chemical resistance, and mechanical strength.
Safety and Handling:
It is crucial to handle and store 1-Bromo-2-difluoromethylbenzene with caution due to its hazardous nature. Proper safety measures should be implemented to minimize health and environmental risks associated with its use. This includes using appropriate personal protective equipment, ensuring proper ventilation, and adhering to storage guidelines to prevent accidental exposure or contamination.

Check Digit Verification of cas no

The CAS Registry Mumber 845866-82-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,5,8,6 and 6 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 845866-82:
(8*8)+(7*4)+(6*5)+(5*8)+(4*6)+(3*6)+(2*8)+(1*2)=222
222 % 10 = 2
So 845866-82-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H

845866-82-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Bromo-2-(difluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 1-bromo-2-(difluoromethyl)benzene

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:845866-82-2 SDS

845866-82-2Relevant articles and documents

Base-Catalyzed H/D Exchange Reaction of Difluoromethylarenes

Huang, Linwei,Liu, Wei,Zhao, Liang-Liang,Zhang, Zengyu,Yan, Xiaoyu

, p. 3981 - 3988 (2021/03/09)

The budding deuteriodifluoromethyl group (CF2D) is a potentially significant functional group in medicinal chemistry. Herein, we investigated t-BuOK-catalyzed H/D exchange reaction of difluoromethylarenes in DMSO-d6 solution. The method provides excellent

PYRIDAZINONES AND METHODS OF USE THEREOF

-

Page/Page column 168, (2019/04/11)

Disclosed are compounds according to Formula (A), and related tautomers and pharmaceutical compositions. Also disclosed are therapeutic methods, e.g., of treating kidney diseases, using the compounds of Formula (A).

SUBSTITUTED BENZOTHIOPHENE ANALOGS AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS

-

Paragraph 0312; 0319, (2019/08/29)

In one aspect, the disclosure relates to relates to substituted benzothiophene analogs which are useful as selective degraders of estrogen receptor, methods of making same, pharmaceutical compositions comprising same, and methods of treating one or more clinical conditions associated with estrogen receptor, such as a cancer, including breast cancer, or osteoporosis. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS

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Paragraph 0734; 0735, (2017/04/04)

Provided herein are novel substituted bicyclic aza-heterocycle sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

Copper-Catalyzed Difluoromethylation of Aryl Iodides with (Difluoromethyl)zinc Reagent

Serizawa, Hiroki,Ishii, Koki,Aikawa, Kohsuke,Mikami, Koichi

supporting information, p. 3686 - 3689 (2016/08/16)

The combination of difluoroiodomethane and zinc dust or diethylzinc can readily lead to (difluoromethyl)zinc reagents. Therefore, the first copper-catalyzed difluoromethylation of aryl iodides with the zinc reagents is accomplished to afford the difluorom

Access to Difluoromethylated Arenes by Pd-Catalyzed Reaction of Arylboronic Acids with Bromodifluoroacetate

Feng, Zhang,Min, Qiao-Qiao,Zhang, Xingang

supporting information, p. 44 - 47 (2016/01/15)

An unprecedented example of Pd-catalyzed difluoromethylation of aryl boronic acids with bromodifluoroacetate is described. The reaction proceeds under mild reaction conditions with hydroquinone and Fe(acac)3 as additives. Preliminary mechanistic studies reveal that a difluorocarbene pathway is involved in the reaction, which is unusual compared to the most traditional approaches. This reaction has advantages of high efficiency and excellent functional group compatibility, even toward bromide and hydroxy group, thus providing a useful protocol for drug discovery and development.

4-Methylsulfonyl-Substituted Piperidine Urea Compounds

-

Paragraph 0097-0098, (2016/09/26)

The present invention provides novel 4-methylsulphone-substituted piperidine urea compounds that are useful for the treatment of dilated cardiomyopathy (DCM) and conditions associated with left and/or right ventricular systolic dysfunction or systolic reserve. The synthesis and characterization of the compounds is described, as well as methods for treating DCM and other forms of heart disease.

SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS

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Page/Page column 189; 190, (2013/05/09)

Provided herein are novel substituted bicyclic aza-heterocycle sirtuin- modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin- modulating compound in combination with another therapeutic agent.

CHROMENONE ANALOGS AS SIRTUIN MODULATORS

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Page/Page column 104, (2010/04/27)

Provided herein are novel sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for e

QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS

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Page/Page column 56, (2008/12/06)

The present invention relates to compounds useful as inhibitors of voltage-gated sodium channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

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