(1,2-Dibromoethyl)benzene

Base Information

• Chemical Name: (1,2-Dibromoethyl)benzene
• CAS No.: 93-52-7
• Deprecated CAS: 102921-26-6
• Molecular Formula: C₈H₈Br₂
• Molecular Weight: 263.96
• Hs Code.: 29049090
• European Community (EC) Number: 202-253-4
• NSC Number: 62438
• UNII: PUE9VR0TBW
• DSSTox Substance ID: DTXSID7052735
• Nikkaji Number: J4.677I
• Wikidata: Q27286760
• Mol file: 93-52-7.mol

Synonyms:1,2-dibromo-1-phenylethane

Chemical Property of (1,2-Dibromoethyl)benzene

Chemical Property:

• Appearance/Colour: light yellow to light brown crystalline powder
• Vapor Pressure: 0.0118mmHg at 25°C
• Melting Point: 70-74 °C(lit.)
• Refractive Index: 1.602
• Boiling Point: 269.8 °C at 760 mmHg
• Flash Point: 116.5 °C
• PSA: 0.00000
• Density: 1.767 g/cm³
• LogP: 3.51750
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 263.89723
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98%, ^*data from raw suppliers

(1,2-Dibromoethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC=C(C=C1)C(CBr)Br

Technology Process of (1,2-Dibromoethyl)benzene

There total 115 articles about (1,2-Dibromoethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 2-Bromo-1-phenylethanol (2425-28-7) + (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With Oxone; ammonium bromide; In water; acetonitrile; at 20 ℃; for 0.0333333h; regioselective reaction;

DOI:10.1016/j.tetlet.2012.01.026

Reference yield: 85.0%

ethylbenzene (100-41-4,27536-89-6) → (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With N-Bromosuccinimide; tertamethylammonium iodide; In 1,2-dichloro-ethane; at 100 ℃; for 12h; Solvent; Temperature; Reagent/catalyst; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.orglett.0c04235

Reference yield: 83.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → α-bromoacetophenone (70-11-1) + (1,2-dibromoethyl)benzene (102921-26-6,93-52-7)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In 1,2-dimethoxyethane; water; at 40 ℃; for 12h;

DOI:10.1016/j.tetlet.2016.12.088

upstream raw materials:

styrene

carbon tetrabromide

ethylbenzene

1-(2-chlorovinyl)benzene

Downstream raw materials:

phenylethane 1,2-diol

2-bromostyrene

benzoic acid

2,2-dibromoacetophenone

Refernces

• 1、 Deng, Tianyu,Tian, Jiaming,Yan, Binhang,Zhu, Junqiu. "Reactive separation of β-bromoethylbenzene from α-β-bromoethylbenzene mixtures: a Zn2+-mediated radical polymerization mechanism". . p. 1219 - 1222. Retrieved 2022/02/03.
• 2、 Yadav, Anuj K.,Tapia Hernandez, Rodrigo,Chan, Jefferson. "A general strategy to optimize the performance of aza-BODIPY-based probes for enhanced photoacoustic properties". . p. 415 - 441. Retrieved 2021/07/26.