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

Base Information

• Chemical Name: 2-Bromo-1-(3-chlorophenyl)ethanone
• CAS No.: 41011-01-2
• Molecular Formula: C8H6BrClO
• Molecular Weight: 233.492
• Hs Code.: 2914700090
• European Community (EC) Number: 609-883-2
• UNII: N62718DTBS
• DSSTox Substance ID: DTXSID10194000
• Nikkaji Number: J1.494.806F
• Wikidata: Q27284602
• Mol file: 41011-01-2.mol

Synonyms:41011-01-2;2-Bromo-1-(3-chlorophenyl)ethanone;3-Chlorophenacyl bromide;2-BROMO-3'-CHLOROACETOPHENONE;2-bromo-1-(3-chlorophenyl)ethan-1-one;2-bromo-1-(3-chlorophenyl)-1-ethanone;m-Chlorophenacyl bromide;Ethanone, 2-bromo-1-(3-chlorophenyl)-;MFCD00792669;alpha-Bromo-3-chloroacetophenone;HSDB 2679;UNII-N62718DTBS;N62718DTBS;2-Bromo-1-(3-chlorophenyl)-ethanone;3'-chlorophenacyl bromide;3-chloro-phenacyl bromide;SCHEMBL69498;2-bromo-3'chloroacetophenone;2-Bromo-3`-chloroacetophenone;alpha-bromo-m-chloroacetophenone;DTXSID10194000;2-BROMO-M-CHLOROACETOPHENONE;2-BROMO-3-CHLOROACETOPHENONE;STL131871;2-Bromo-3'-chloroacetophenone, 97%;AKOS000210547;2-bromanyl-1-(3-chlorophenyl)ethanone;AC-4423;AM82939;CS-W002678;M-CHLOROPHENACYL BROMIDE [HSDB];2-bromo-1-(3-chloro-phenyl)-ethanone;SY004172;.ALPHA.-BROMO-3-CHLOROACETOPHENONE;ACETOPHENONE, 2-BROMO-3'-CHLORO-;FT-0611335;EN300-08067;A825389;10X-0707;J-508145;Q27284602;2-Bromo-3 inverted exclamation mark -chloroacetophenone;F8881-4880;Z104482040;4011-01-2

Chemical Property of 2-Bromo-1-(3-chlorophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00242mmHg at 25°C
• Melting Point: 39 °C
• Refractive Index: 1.584
• Boiling Point: 287.9 °C at 760 mmHg
• Flash Point: 127.9 °C
• PSA: 17.07000
• Density: 1.598 g/cm³
• LogP: 2.91760
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

3-Chlorophenacylbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones, Halogenated
• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=O)CBr
• Uses: 2-Bromo-3'-chloroacetophenone acts as a Substrate used in a one-step preparation of symmetrical 1,4-diketones in the presence of Zn-I2.

Technology Process of 2-Bromo-1-(3-chlorophenyl)ethanone

There total 11 articles about 2-Bromo-1-(3-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: 97.0%

3'-Chloroacetophenone (99-02-5) → 2-bromo-1-(3-chloro-phenyl)-ethanone (41011-01-2)

Guidance literature:

With benzyltrimethylammonium tribromide; In methanol; dichloromethane; for 4.5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80579-2

Reference yield: 84.0%

C15H15ClO (1616490-77-7) → 2-bromo-1-(3-chloro-phenyl)-ethanone (41011-01-2)

Guidance literature:

With p-nitrobenzenesulfonamide; hydrogen bromide; oxygen; sodium nitrite; In water; acetonitrile; at 0 - 60 ℃; for 24.5h; under 760.051 Torr;

DOI:10.1039/c7cc02166f

Reference yield: 80.0%

3'-Chloroacetophenone (99-02-5) → α,α-dibromo-3'-chloroacetophenone (25847-29-4) + 2-bromo-1-(3-chloro-phenyl)-ethanone (41011-01-2)

Guidance literature:

With N-Bromosuccinimide; silica gel; In methanol; for 0.366667h; chemoselective reaction; Reflux;

DOI:10.1016/j.cclet.2013.09.014

upstream raw materials:

3'-Chloroacetophenone

3-chloro-benzoic acid ethyl ester

1,1-dibromomethane

(2-cyano-4-chloro-phenyl)-carbamic acid ethyl ester

Downstream raw materials:

1-(3-chloro-phenyl)-2-(2-imino-thiazolidin-3-yl)-ethanone

1-(3-chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone

1-(3-Chloro-phenyl)-2-hydrazono-ethanone

m-Chlorophenacyl phenylacetate