460-00-4 Usage
Description
4-Bromofluorobenzene is a dihalogenated benzene compound, characterized by the presence of both bromine and fluorine atoms attached to a benzene ring. This unique molecular structure endows it with specific chemical properties that make it valuable in various applications.
Uses
Used in Pharmaceutical Industry:
4-Bromofluorobenzene is used as a key intermediate in the synthesis of atypical antipsychotic agents. Its unique dihalogenated structure plays a crucial role in the development of these medications, which are designed to treat various mental health disorders.
Used in Environmental Analysis:
4-Bromofluorobenzene can act as a surrogate standard for the determination of toxicity of diesel and water accommodated diesel fraction (WAF) towards microalgal species like Pseudokirchneriella subcapitata and Chlorella sp.MM3. This is achieved through the use of gas chromatography coupled with mass spectrometry (GC-MS), allowing for accurate assessment of environmental contamination and its impact on aquatic life.
Additionally, 4-Bromofluorobenzene is utilized in the determination of chemicals such as benzene, toluene, ethylbenzene, and xylene (BTEX) and their stable carbon isotopic values in gasoline-contaminated groundwater. This application also employs gas chromatography coupled with mass spectrometry (GC-MS) to ensure precise measurement and analysis of pollutants in water sources.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
Simple aromatic halogenated organic compounds, such as 4-Bromofluorobenzene, are very unreactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Health Hazard
ACUTE/CHRONIC HAZARDS: Irritant.
Flammability and Explosibility
Flammable
Check Digit Verification of cas no
The CAS Registry Mumber 460-00-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,6 and 0 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 460-00:
(5*4)+(4*6)+(3*0)+(2*0)+(1*0)=44
44 % 10 = 4
So 460-00-4 is a valid CAS Registry Number.
InChI:InChI=1/C2H2BrF/c3-1-2-4/h1-2H/b2-1+
460-00-4Relevant articles and documents
Photochemical Sandmeyer-type Halogenation of Arenediazonium Salts
Belitz, Florian,Goo?en, Lukas J.,Manu Martínez, ángel,Schmid, Rochus,Sivendran, Nardana,Sowa Prendes, Daniel
, (2022/01/19)
Trihalide salts were found to efficiently promote photochemical dediazotizing halogenations of diazonium salts. In contrast to classical Sandmeyer reactions, no metal catalysts are required to achieve high yields and outstanding selectivities for halogena
Orthogonal Stability and Reactivity of Aryl Germanes Enables Rapid and Selective (Multi)Halogenations
Deckers, Kristina,Fricke, Christoph,Schoenebeck, Franziska
supporting information, p. 18717 - 18722 (2020/08/25)
While halogenation is of key importance in synthesis and radioimaging, the currently available repertoire is largely designed to introduce a single halogen per molecule. This report makes the selective introduction of several different halogens accessible. Showcased here is the privileged stability of nontoxic aryl germanes under harsh fluorination conditions (that allow selective fluorination in their presence), while displaying superior reactivity and functional-group tolerance in electrophilic iodinations and brominations, outcompeting silanes or boronic esters under rapid and additive-free conditions. Mechanistic experiments and computational studies suggest a concerted electrophilic aromatic substitution as the underlying mechanism.
Metal- and base-free synthesis of aryl bromides from arylhydrazines
Phuc Tran, Dat,Nomoto, Akihiro,Mita, Soichiro,Dong, Chun-ping,Kodama, Shintaro,Mizuno, Takumi,Ogawa, Akiya
supporting information, (2020/05/08)
An efficient method was developed to synthesize brominated aromatic compounds from arylhydrazine hydrochlorides by using BBr3 in DMSO/CPME (cyclopentyl methyl ether) under air at 80 °C for 1 h without the use of bases or metal catalysts. In particular, this method could be carried out satisfactorily using electron-withdrawing groups to afford aryl bromides in a moderate to excellent yields.