1-Chloro-4-(1,2-dibromoethyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(1,2-dibromoethyl)benzene
• CAS No.: 23135-16-2
• Molecular Formula: C8H7 Br2 Cl
• Molecular Weight: 298.405
• European Community (EC) Number: 624-407-3
• DSSTox Substance ID: DTXSID90464874
• Nikkaji Number: J1.553.095B
• Mol file: 23135-16-2.mol

Synonyms:1-Chloro-4-(1,2-dibromoethyl)benzene;23135-16-2;SCHEMBL9370511;DTXSID90464874;AKOS025294956;BS-22079;Benzene, 1-chloro-4-(1,2-dibromoethyl)-;1-Chloro-4-(1,2-dibromoethyl)benzene, 97%

Chemical Property of 1-Chloro-4-(1,2-dibromoethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00376mmHg at 25°C
• Melting Point: 45-49 °C
• Refractive Index: 1.613
• Boiling Point: 289.7°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 0.00000
• Density: 1.849g/cm³
• LogP: 4.17090
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 297.85825
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

98%Min ^*data from raw suppliers

1-Chloro-4-(1,2-dibromoethyl)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CBr)Br)Cl
• Uses: 1-Chloro-4-(1,2-dibromoethyl)benzene

Technology Process of 1-Chloro-4-(1,2-dibromoethyl)benzene

There total 11 articles about 1-Chloro-4-(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: 100.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1,2-dibromo-1-(4-chlorophenyl)ethane (23135-16-2)

Guidance literature:

With bromine; In chloroform; at 0 ℃; Inert atmosphere;

DOI:10.1055/s-0036-1589143

Reference yield: 89.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 2-bromo-1-(4-chlorophenyl)ethanol (6314-52-9) + 1,2-dibromo-1-(4-chlorophenyl)ethane (23135-16-2)

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%

4-chloro(ethylbenzene) (622-98-0) → 1,2-dibromo-1-(4-chlorophenyl)ethane (23135-16-2)

Guidance literature:

With N-Bromosuccinimide; In 1,2-dichloro-ethane; at 100 ℃; for 12h; Inert atmosphere;

upstream raw materials:

4-vinylbenzyl chloride

methanol

carbon monoxide

Bromotrichloromethane

Downstream raw materials:

4-n-chlorophenylacetylene

3-(4-chlorophenyl)-2H-azirine

1-(1-azido-2-bromoethyl)-4-chlorobenzene

1-(1-bromovinyl)-4-chlorobenzene

Refernces

• 1、 Barrio, Pablo,García-Pedrero, Olaya,López-Matanza, Pablo,Rodríguez, Félix,Rubio-Presa, Rubén. "Dihalogenation of Alkenes Using Combinations of N-Halosuccinimides and Alkali Metal Halides". supporting information. p. 4762 - 4766. Retrieved 2021/09/10.
• 2、 Mulina, Olga M.,Doronin, Mikhail M.,Terent'ev, Alexander O.. "Electrosynthesis of N-unsubstituted enaminosulfones from vinyl azides and sodium sulfinates mediated by NH4I". supporting information. . Retrieved 2021/10/16.