1-(3-Bromo-4-chlorophenyl)ethanone

Base Information

• Chemical Name: 1-(3-Bromo-4-chlorophenyl)ethanone
• CAS No.: 54826-14-1
• Molecular Formula: C8H6BrClO
• Molecular Weight: 233.492
• Hs Code.: 2914700090
• European Community (EC) Number: 692-516-3
• DSSTox Substance ID: DTXSID30537753
• Wikidata: Q72452300
• Mol file: 54826-14-1.mol

Synonyms:54826-14-1;1-(3-BROMO-4-CHLOROPHENYL)ETHANONE;3-Bromo-4-chloroacetophenone;1-(3-Bromo-4-chlorophenyl)ethan-1-one;3'-Bromo-4'-chloroacetophenone;Ethanone, 1-(3-bromo-4-chlorophenyl)-;SCHEMBL1841487;DTXSID30537753;WLNOSWNYESTEKE-UHFFFAOYSA-N;MFCD09832932;1-(3-bromo-4-chlorophenyl)-ethanone;AKOS015891126;AS-61851;CS-0155124;EN300-172869;A830376;Z1269168018;1-(3-bromo-4-chloro-phenyl)ethanone

Chemical Property of 1-(3-Bromo-4-chlorophenyl)ethanone

Chemical Property:

• Boiling Point: 310.282 °C at 760 mmHg
• Flash Point: 141.454 °C
• PSA: 17.07000
• Density: 1.566 g/cm³
• LogP: 3.30510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-4-chloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)Cl)Br

Technology Process of 1-(3-Bromo-4-chlorophenyl)ethanone

There total 6 articles about 1-(3-Bromo-4-chlorophenyl)ethanone 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%

3-bromo-4-chloro-N-methoxy-N-methylbenzamide (203179-00-4) + methylmagnesium bromide (75-16-1) → 1-(3-bromo-4-chlorophenyl)ethan-1-one (54826-14-1)

Guidance literature:

3-bromo-4-chloro-N-methoxy-N-methyl-benzamide; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water; at 0 ℃; pH=1;

Reference yield: 87.0%

para-chloroacetophenone (99-91-2) → 1-(3-bromo-4-chlorophenyl)ethan-1-one (54826-14-1)

Guidance literature:

para-chloroacetophenone; With potassium bromate; In methanol; water;

With sodium hydrogensulfite; In methanol; water; at 60 ℃; for 5h; Reagent/catalyst; Temperature;

Reference yield:

1-(4-amino-3-bromophenyl)-ethanone (56759-32-1) + copper(I) cyanide (544-92-3) → 1-(3-bromo-4-chlorophenyl)ethan-1-one (54826-14-1) + 4-acetyl-2-bromobenzonitrile (93273-63-3)

Guidance literature:

With hydrogenchloride; sodium nitrite; Yield given. Multistep reaction. Yields of byproduct given; 1.) H₂O, 5 deg C; 2.) 40-50 deg C, 0.5 h;

DOI:10.1248/cpb.32.3047

upstream raw materials:

3-amino-4-chloroacetophenone

1-(4-amino-3-bromophenyl)-ethanone

copper(I) cyanide

2-bromo-1-chlorobenzene

Downstream raw materials:

2-bromo-1-(3-bromo-4-chloro-phenyl)ethanone

1-(3-bromo-4-chlorophenyl)-N-((R)-1-(3-chlorophenyl)ethyl)ethanamine