2-Bromo-1-(4-chloro-3-nitrophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-chloro-3-nitrophenyl)ethanone
• CAS No.: 22019-49-4
• Molecular Formula: C8H5 Br Cl N O3
• Molecular Weight: 278.49
• Hs Code.: 2914700090
• European Community (EC) Number: 858-266-6
• DSSTox Substance ID: DTXSID90380868
• Nikkaji Number: J3.328.469A
• Wikidata: Q82171351
• Mol file: 22019-49-4.mol

Synonyms:22019-49-4;2-bromo-1-(4-chloro-3-nitrophenyl)ethanone;2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one;4-Chloro-3-nitrophenacyl bromide;4-Chloro-3-Nitrophenacylbromide;SCHEMBL239392;DTXSID90380868;FXNQTMRPLLNPQY-UHFFFAOYSA-N;4-chloro-3-nitro-phenacyl bromide;4-chloro-3-nitrophen-acyl bromide;MFCD00126400;AKOS001358995;AS-0145;2-bromo-4'-chloro-3'-nitroacetophenone;CS-0068855;FT-0611341;2-bromo-1-(4-chloro-3-nitro-phenyl)ethanone;EN300-26952;2-bromo-1-(4-chloro-3-nitro-phenyl)-ethanone;A12285;Z235343001

Chemical Property of 2-Bromo-1-(4-chloro-3-nitrophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000115mmHg at 25°C
• Melting Point: 86-89°C
• Boiling Point: 336.1°Cat760mmHg
• Flash Point: 157.1°C
• PSA: 62.89000
• Density: 1.763g/cm³
• LogP: 3.34900
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.91413
• Heavy Atom Count: 14
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-3-nitrophenacyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl

Technology Process of 2-Bromo-1-(4-chloro-3-nitrophenyl)ethanone

There total 3 articles about 2-Bromo-1-(4-chloro-3-nitrophenyl)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: 78.0%

4-chloro-3-nitroacetophenone (5465-65-6) → 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone (22019-49-4)

Guidance literature:

With bromine; In benzene; at 20 ℃; for 1.08333h;

DOI:10.1021/acs.jmedchem.8b00082

Reference yield:

→ 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone (22019-49-4)

Guidance literature:

3-Nitro-4-chloracetophenon, Brom, Eg.;

Reference yield:

→ 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone (22019-49-4) + methyl {(2S)-1-[(2S)-2-{5-[(2R,5R)-1-(4-tert-butylphenyl)-5-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl carbamate

Guidance literature:

upstream raw materials:

4-chloro-3-nitroacetophenone

Downstream raw materials:

6-(4-Chloro-3-nitro-phenyl)-2,3-dimethyl-imidazo[2,1-b]thiazole

2-Chloro-6-(4-chloro-3-nitro-phenyl)-imidazo[2,1-b]thiazole

N'-{1-[(Z)-2-(4-Chloro-3-nitro-phenyl)-2-oxo-ethylimino]-ethyl}-hydrazinecarboxylic acid ethyl ester

2-Amino-4-(4-chloro-3-nitrophenyl)thiazole