40422-70-6

Basic information

• Product Name: 3-BROMOPHENETHYL BROMIDE 97
• Synonyms: 3-BROMOPHENETHYL BROMIDE 97;1-broMo-3-(2-broMoethyl)benzene;3-BroMophenethyl broMide 97%;1-Bromo-3-(2-bromoethyl)
• CAS NO: 40422-70-6
• Molecular Formula: C₈H₈Br₂
• Molecular Weight: 263.959
• Mol File: 40422-70-6.mol

Chemical Properties

• Boiling Point: 77-78 °C0.1 mm Hg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.725 g/mL at 25 °C
• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: n20/D 1.595
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-BROMOPHENETHYL BROMIDE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOPHENETHYL BROMIDE 97(40422-70-6)
• EPA Substance Registry System: 3-BROMOPHENETHYL BROMIDE 97(40422-70-6)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-43-51/53
• Safety Statements: 36/37-61
• RIDADR: UN 3082 9 / PGIII
• WGK Germany: 2
• Hazardous Substances Data: 40422-70-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Bromophenethyl bromide 97 is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its reactivity allows for the creation of a wide range of drug molecules, contributing to the development of new medications and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Bromophenethyl bromide 97 is utilized as a precursor in the production of various agrochemicals. Its role in the synthesis of these compounds aids in the development of pesticides, herbicides, and other agricultural products designed to enhance crop protection and yield.
Used in Organic Synthesis:
3-Bromophenethyl bromide 97 is employed as a reagent in organic synthesis, enabling the preparation of a diverse array of organic compounds. Its high reactivity makes it a valuable component in the creation of specialty chemicals, fine chemicals, and other complex organic molecules for various applications.

InChI:InChI=1/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2

Upstream product

• 64723-45-1 toluene-4-sulfonic acid-(3-bromo-phenethyl ester) 
• 28229-69-8 2-(3-bromophenyl)ethan-1-ol 
• 2039-86-3 3-bromostyrene 
• 1878-67-7 3-Bromophenylacetic acid 
• 75-25-2 Bromoform 
• 765-46-8 spiro[2.4]hepta-4,6-diene 

Downstream Products

• 57186-65-9 1-bromo-3-(2'-iodoethyl)benzene 
• 2039-86-3 3-bromostyrene 
• 439856-34-5 (1-(3-iodophenethyl)piperidin-4-yl)(4-fluorophenyl)methanone 
• 785032-26-0 2-(3-bromophenyl)-N-methylethanamine 
• 172484-94-5 (1S,2R)-4-Bromo-3-(2-bromo-ethyl)-cyclohexa-3,5-diene-1,2-diol 
• 1098108-56-5 (S)-2-bromo-1-(3-bromophenyl)ethanol 
• 1212086-19-5 (R)-2-bromo-1-(3-bromophenyl)ethanol 
• 1426260-75-4 2-(3-bromophenethyl)-8-(2,4-dimethoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol 
• 1426260-55-0 2-(3-bromophenethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol 

Relevant articles and documents

Cascade bio-hydroxylation and dehalogenation for one-pot enantioselective synthesis of optically active β-halohydrins from halohydrocarbons

A stereoselective hydroxylation and enantioselective dehalogenation cascade reaction was developed for the synthesis of optically active β-haloalcohols from halohydrocarbons. This cascade system employed P450 and halohydrin dehalogenase as two compatible biocatalysts, allowing a straightforward, greener and efficient access to β-halohydrins with excellent enantioselectivities (98-99%).

Scalable anti-Markovnikov hydrobromination of aliphatic and aromatic olefins

To improve access to a key synthetic intermediate we targeted a direct hydrobromination-Negishi route. Unsurprisingly, the anti-Markovnikov addition of HBr to estragole in the presence of AIBN proved successful. However, even in the absence of an added initiator, anti-Markovnikov addition was observed. Re-examination of early reports revealed that selective Markovnikov addition, often simply termed "normal" addition, is not always observed with HBr unless air is excluded, leading to the rediscovery of a reproducible and scalable initiator-free protocol.

Synthesis and in vivo evaluation in mice of (123I)-(4- fluorophenyl)(1-(3-iodophenethyl)piperidin-4-yl) methanone as a potential SPECT-tracer for the serotonin 5-HT2A receptor

This work reports the synthesis, radiolabelling and in vivo evaluation in NMRI mice of [123I]-(4-fluorophenyl)[1-(3-iodophenethyl)piperidin-4- yl]methanone ([123I]-3-I-CO) as a potential SPECT tracer for the 5-HT2A recepto

A dehydrohalogenation methodology for synthesizing terminal olefins under mild conditions

A new methodology for preparing terminal olefins in good yield by dehydrohalogenation of primary alkyl iodide with tetrabutylammonium fluoride in dimethyl sulfoxide at room temperature is presented. Optimization of the mild reaction conditions and assays on various alkyl iodides are described. Georg Thieme Verlag Stuttgart.

REACTIONS OF DIHALOCARBENES WITH SUBSTITUTED SPIROHEPTA-4,6-DIENES

Reactions of dihalocarbenes with spirohepta-4,6-diene lead to the formation of 1-halo-3-(2-haloethyl)benzenes, which readily undergo dehydrohalogenation to 3-halostyrenes.From 1-arylspirohepta-4,6-dienes and dihalocarbenes 3-halostilbenes are obtained.