1-(4-Bromophenyl)-2-chloroethanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-chloroethanone
• CAS No.: 4209-02-3
• Molecular Formula: C8H6BrClO
• Molecular Weight: 233.492
• Hs Code.: 2914700090
• European Community (EC) Number: 224-134-6
• NSC Number: 94761
• DSSTox Substance ID: DTXSID50194928
• Nikkaji Number: J224.999E
• Wikidata: Q72517539
• Mol file: 4209-02-3.mol

Synonyms:1-(4-bromophenyl)-2-chloroethanone;4209-02-3;2-Chloro-4'-bromoacetophenone;1-(4-Bromophenyl)-2-chloroethan-1-one;1-(4-Bromo-phenyl)-2-chloro-ethanone;4'-Bromo-2-chloroacetophenone;4-BROMO-2-CHLOROACETOPHENONE;ethanone, 1-(4-bromophenyl)-2-chloro-;MFCD00095178;NSC94761;p-Bromphenacylchlorid;NCIOpen2_005960;SCHEMBL474016;4 inverted exclamation mark -Bromo-2-chloroacetophenone;DTXSID50194928;alpha-Chloro-4'-bromoacetophenone;EINECS 224-134-6;NSC 94761;NSC-94761;AKOS000115679;AM61969;CS-W014170;DS-1655;SY096724;BB 0241921;FT-0647686;EN300-01883;A19694;Z56886257

Chemical Property of 1-(4-Bromophenyl)-2-chloroethanone

Chemical Property:

• Vapor Pressure: 0.000759mmHg at 25°C
• Melting Point: 119-120 °C
• Refractive Index: 1.571
• Boiling Point: 306.7 °C at 760 mmHg
• Flash Point: 139.3 °C
• PSA: 17.07000
• Density: 1.572 g/cm³
• LogP: 2.87060
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99.9% ^*data from raw suppliers

2-Chloro-4''-bromoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCl)Br
• Uses: 2-Chloro-4''-bromoacetophenone

Technology Process of 1-(4-Bromophenyl)-2-chloroethanone

There total 22 articles about 1-(4-Bromophenyl)-2-chloroethanone 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: 98.0%

para-bromoacetophenone (99-90-1) → 1-(4-bromophenyl)-2-chloroethan-1-one (4209-02-3)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In methanol; 1,2-dichloro-ethane; for 5h; Heating;

DOI:10.1055/s-1988-27633

Reference yield: 92.0%

1-bromo-4-ethenyl-benzene (2039-82-9) → 1-(4-bromophenyl)-2-chloroethan-1-one (4209-02-3)

Guidance literature:

With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride; In dichloromethane; acetone; at 40 ℃; for 40h; Electrochemical reaction;

DOI:10.1039/c9cc06746a

Reference yield: 92.0%

1-(4-bromophenyl)-2,2,2-trichloroethan-1-ol (21757-86-8) → 1-(4-bromophenyl)-2-chloroethan-1-one (4209-02-3)

Guidance literature:

With [2,2]bipyridinyl; copper(l) chloride; In 1,2-dichloro-ethane; for 3h; Heating;

DOI:10.1021/jo8007644

upstream raw materials:

para-bromoacetophenone

bromobenzene

chloroacetyl chloride

para-bromophenacyl bromide

Downstream raw materials:

N-[1-(4-bromo-phenyl)-2-chloro-ethylidenamino]-N'-nitro-guanidine

2,4-bis(4-bromobenzoylmethylthio)pyrimidine

4-bromo-2-hydroxyacetophenone

2-benzoyl-4-(4-bromophenyl)-1-phenylbut-2-ene-1,4-dione

Refernces

• 1、 Wang, Zhihui,Wang, Lei,Wang, Zhiming,Li, Pinhua,Zhang, Yicheng. "A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions". supporting information. p. 429 - 432. Retrieved 2020/02/29.
• 2、 Luo, Zhibin,Meng, Yunge,Gong, Xinchi,Wu, Jie,Zhang, Yulan,Ye, Long-Wu,Zhu, Chunyin. "Facile Synthesis of α-Haloketones by Aerobic Oxidation of Olefins Using KX as Nonhazardous Halogen Source". supporting information. p. 173 - 177. Retrieved 2020/01/02.