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1-Bromo-2,5-difluorobenzene is an organic compound with the molecular formula C6H2BrF2. It is a clear, colorless liquid that is derived from the lithiation of 2-bromo-1,4-difluorobenzene in the presence of lithium diisopropylamide (LDA) in THF-hexane, butyllithium in diethyl ether-hexane, and butyllithium in THF-hexane. 1-Bromo-2,5-difluorobenzene is known for its unique chemical properties and potential applications in various industries.

399-94-0

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399-94-0 Usage

Uses

Used in Pharmaceutical Industry:
1-Bromo-2,5-difluorobenzene is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of new molecules with potential therapeutic applications.
Used in Chemical Synthesis:
1-Bromo-2,5-difluorobenzene is used as a key building block in the preparation of various organic compounds, including 1,4-difluoroanthraquinone, which is a precursor to ametantrone. 1-Bromo-2,5-difluorobenzene serves as an essential component in the development of new chemical products and materials.
Used in Material Science:
Due to its unique chemical properties, 1-Bromo-2,5-difluorobenzene can be utilized in the development of new materials with specific characteristics, such as improved thermal stability, chemical resistance, or optical properties. These materials can find applications in various industries, including electronics, automotive, and aerospace.

Check Digit Verification of cas no

The CAS Registry Mumber 399-94-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,9 and 9 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 399-94:
(5*3)+(4*9)+(3*9)+(2*9)+(1*4)=100
100 % 10 = 0
So 399-94-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1

399-94-0 Well-known Company Product Price

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  • Alfa Aesar

  • (A12963)  2-Bromo-1,4-difluorobenzene, 98%   

  • 399-94-0

  • 5g

  • 927.0CNY

  • Detail
  • Alfa Aesar

  • (A12963)  2-Bromo-1,4-difluorobenzene, 98%   

  • 399-94-0

  • 25g

  • 3365.0CNY

  • Detail
  • Alfa Aesar

  • (A12963)  2-Bromo-1,4-difluorobenzene, 98%   

  • 399-94-0

  • 100g

  • 11005.0CNY

  • Detail

399-94-0SDS

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 1-Bromo-2,5-difluorobenzene

1.2 Other means of identification

Product number -
Other names 2,5-difluorobromobenzene

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:399-94-0 SDS

399-94-0Relevant academic research and scientific papers

A 2, 5 - difluoro -4 - nitro benzoic acid (by machine translation)

-

Paragraph 0009; 0013, (2019/03/08)

The invention discloses a 2, 5 - difluoro - 4 - nitro-benzoic acid industrial preparation method. The 2, 5 - difluoro - 4 - nitro-benzoic acid industrial preparation method, the initial raw materials to the difluoro, through the bromo, nitration, carbonitriding, the hydrolysis of the four-step reaction synthesis of 2, 5 - difluoro - 4 - nitro-benzoic acid. The got in the course of 2, 5 - difluoro - 4 - nitrobenzoic acid as white powdery solid, purity 98.5%, each step the raw material conversion rate respectively reaches 100%, the total yield of the whole process 44.6%. (by machine translation)

Reactions of aromatic compounds with xenon difluoride

Bardin,Adonin, N. Yu.

, p. 1400 - 1407 (2016/11/29)

Reactions of substituted benzenes C6H5R (R = Me, F, Cl, Br, CF3, NO2) with xenon difluoride in the presence of boron trifluoride–diethyl ether complex in weakly acidic (1,1,1,3,3-pentafluorobutane) and weakly basic media (acetonitrile) have been studied. These reactions lead to the formation of fluorobenzene derivatives FC6H4R (isomer mixture) together with isomeric difluorobenzenes and fluorinated and non-fluorinated biphenyls. The results have been compared with previously reported data obtained in other solvents using other catalysts.

Bromination of aromatic compounds using an Fe2O 3/zeolite catalyst

Nishina, Yuta,Takami, Keishi

supporting information, p. 2380 - 2383 (2013/02/21)

The catalytic bromination of non-activated aromatic compounds has been achieved using an Fe2O3/zeolite catalyst system. FeBr 3 was identified as the catalytic species, formed in situ from HBr and Fe2O3. The catalyst was easy-to-handle and cost effective and could also be recycled. The reaction system was also amenable to the one-pot sequential bromination/C-C bond formation of benzene.

N-halosuccinimide/BF3-H2O, efficient electrophilic halogenating systems for aromatics

Prakash, G. K. Surya,Mathew, Thomas,Hoole, Dushyanthi,Esteves, Pierre M.,Wang, Qi,Rasul, Golam,Olah, George A.

, p. 15770 - 15776 (2007/10/03)

N-Halosuccinimides (NXS, 1) are efficiently activated in trifluoromethanesulfonic acid and BF3-H2O, allowing the halogenations of deactivated aromatics. Because BF3-H2O is more economic, easy to prepare, nonoxidizing, and offers sufficiently high acidity (-H0 ≈ 12, only slightly lower than that of trifluoromethanesulfonic acid), an efficient new electrophilic reagent combination of NXS/BF3-H2O has been developed. DFT calculations at the B3LYP/6-311++G**//B3LYP/6-31G* level suggest that protonated N-halosuccinimides undergo further protosolvation at higher acidities to reactive superelectrophilic species capable either in the transfer of X+ from the protonated forms of NXS to the aromatic substrate or in forming a highly reactive and solvated X+ which would readily react with the aromatic substrates. Structural aspects of the BF 3-H2O complex have also been investigated.

Method for producing tetrakis ( fluoroaryl) borate-magnesium compound

-

, (2008/06/13)

Fluoroaryl magnesium halide is reacted with a boron compound so that a molar ratio of the fluoroaryl magnesium halide to the boron compound is not less than 3.0 and not more than 3.7, so as to produce a tetrakis (fluoroaryl) borate·magnesium compound. With this method, there occurs no hydrogen fluoride which corrodes a producing apparatus and requires troublesome waste water treatment.

PHOTOCHEMICAL BROMINATION OF ARENES. 2. FLUOROBENZENE DERIVATIVES (1)

Bolton, Roger,Owen, Elaine S. E.

, p. 393 - 406 (2007/10/02)

Photochemically induced reaction of fluorobenzene and a range of polyfluorobenzenes, both in an excess of the arene and with fluorotrichloromethane as solvent, gave isolable adducts only with fluorobenzene, the isomeric difluorobenzenes, and in very small yield with 1,3,5-trifluorobenzene.These adducts were identified by combustion analysis, mass spectrometry, and n.m.r. techniques (1H, 13C, 19F).In every case, the expected substitution products accompanied these adducts, and in the more fully fluorinated benzene derivatives substitution was the only process observed.Fluorotrichloromethane encouraged the formation of adducts, but the concurrent formation of substantial amounts of substitution products suggested that adducts are not the necessary precursors of the substitution products, in contrast with other systems.

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