1-(2-Bromoethyl)-3-chlorobenzene

Base Information

• Chemical Name: 1-(2-Bromoethyl)-3-chlorobenzene
• CAS No.: 16799-05-6
• Molecular Formula: C8H8BrCl
• Molecular Weight: 219.509
• Hs Code.: 2903999090
• European Community (EC) Number: 627-861-0
• DSSTox Substance ID: DTXSID80168455
• Nikkaji Number: J105.412K
• Wikidata: Q83038064
• Mol file: 16799-05-6.mol

Synonyms:1-(2-Bromoethyl)-3-chlorobenzene;3-Chlorophenethyl bromide;16799-05-6;Benzene, 1-(2-bromoethyl)-3-chloro-;1-Bromo-2-(3-chlorophenyl)ethane;3-Chlorophenethyl bromide, 97%;MFCD04117465;3-CHLOROPHENETHYL BROMIDE, 97per cent;3-ChlorophenethylBromide;3-Chloro-1-(2-bromoethyl)benzene;m-chlorophenethyl bromide;SCHEMBL177421;2-(3-chlorophenyl)ethyl bromide;DTXSID80168455;2-(3-chlorophenyl)-ethyl bromide;1-(2-Bromo-ethyl)-3-chloro-benzene;1-(2-Bromoethyl)-3-chlorobenzene #;AKOS000442203;DS-3054;SY004844;CS-0156919;FT-0647607;EN300-675179

Chemical Property of 1-(2-Bromoethyl)-3-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.0623mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 239.3 °C at 760 mmHg
• Flash Point: 118 °C
• PSA: 0.00000
• Density: 1.489 g/cm³
• LogP: 3.27740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 217.94979
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chlorophenethyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-41-51/53
• Safety Statements: 26-36/37-39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCBr

Technology Process of 1-(2-Bromoethyl)-3-chlorobenzene

There total 6 articles about 1-(2-Bromoethyl)-3-chlorobenzene 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: 89.0%

2-(3-chlorophenyl)ethanol (5182-44-5) → 2-(3-chlorophenyl)ethyl bromide (16799-05-6)

Guidance literature:

With sulfuric acid; hydrogen bromide; for 3h; Heating;

DOI:10.1021/jm9603936

Reference yield: 57.0%

2-(3-chlorophenyl)ethanol (5182-44-5) → 2-(3-chlorophenyl)ethyl bromide (16799-05-6) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 18h; Product distribution / selectivity;

Reference yield:

3-Chlorostyrene (2039-85-2,26100-04-9) → 3-chloro-α-bromoethylbenzene (65130-47-4) + 2-(3-chlorophenyl)ethyl bromide (16799-05-6)

Guidance literature:

With hydrogen bromide; acetic acid; In hexane; at 0 ℃; for 2h; Overall yield = 95 %;

DOI:10.1039/c6ob00692b

upstream raw materials:

2-(3-chlorophenyl)ethanol

3-chlorophenylacetic acid

1-bromo-3-chlorobenzene

3-Chlorostyrene

Downstream raw materials:

1-chloro-3-(2-iodoethyl)benzene

2-(3-chlorophenyl)-1-nitroethane

1-(3-chlorophenyl)-3-(pyridin-4-yl)-butane

1-(3-chlorophenyl)-3-(3-ethyl-pyridin-4-yl)-propane

Refernces

• 1、 Galli, Marzia,Fletcher, Catherine J.,Del Pozo, Marc,Goldup, Stephen M.. "Scalable anti-Markovnikov hydrobromination of aliphatic and aromatic olefins". supporting information. p. 5622 - 5626. Retrieved 2016/07/06.
• 2、 Zheng, Bo,Wang, Hui,Han, Yong,Liu, Changlu,Peng, Yungui. "A novel method to access chiral nonnatural 2,4-disubstituted pyrrolidines from aldehydes and nitroolefins only with an α-substituent". supporting information. p. 4561 - 4563. Retrieved 2013/06/04.