3'-Bromo-5'-chloro-2'-hydroxyacetophenone

Base Information

• Chemical Name: 3'-Bromo-5'-chloro-2'-hydroxyacetophenone
• CAS No.: 59443-15-1
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 29147000
• European Community (EC) Number: 626-689-3
• DSSTox Substance ID: DTXSID50370785
• Nikkaji Number: J1.911.022B
• Wikidata: Q72452700
• Mol file: 59443-15-1.mol

Synonyms:3'-Bromo-5'-chloro-2'-hydroxyacetophenone;59443-15-1;1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone;3-bromo-5-chloro-2-hydroxyacetophenone;1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one;Ethanone, 1-(3-bromo-5-chloro-2-hydroxyphenyl)-;MFCD00857068;SCHEMBL221422;DTXSID50370785;2-Acetyl-4-chloro-6-bromophenol;2-Acetyl-6-bromo-4-chlorophenol;FFAVKFQPEOGJOA-UHFFFAOYSA-N;AKOS000112367;CS-W014105;PS-3407;AC-23688;SY018324;B2236;FT-0640599;3'-Bromo-5'-chloro-2'-hydroxy acetophenone;EN300-1276933;3'-Bromo-5'-chloro-2'-hydroxyacetophenone, 97%;A832321;A1-00325;3\'-BROMO-5\'-CHLORO-2\'-HYDROXYACETOPHENONE;1-(3-bromo-5-chloro-phenyl)-2-hydroxy-ethanone;3 inverted exclamation mark -Bromo-5 inverted exclamation mark -chloro-2 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 3'-Bromo-5'-chloro-2'-hydroxyacetophenone

Chemical Property:

• Vapor Pressure: 0.000747mmHg at 25°C
• Melting Point: 100-103 °C
• Refractive Index: 1.604
• Boiling Point: 297.8 °C at 760 mmHg
• PKA: 8.19±0.23(Predicted)
• Flash Point: 133.9 °C
• PSA: 37.30000
• Density: 1.691 g/cm³
• LogP: 3.01070
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99.5% ^*data from raw suppliers

3''-Bromo-5''-chloro-2''-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3'-Bromo-5'-chloro-2'-hydroxyacetophenone

There total 4 articles about 3'-Bromo-5'-chloro-2'-hydroxyacetophenone 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: 95.0%

5-chloro-2-hydroxyacetophenone (1450-74-4) → 5-chloro-3-bromo-2-hydroxyacetophenone (59443-15-1)

Guidance literature:

With pyridinium bromochromate; In acetic acid;

DOI:10.1016/S0040-4039(03)01071-2

Reference yield: 77.0%

2-bromo-4-chlorophenyl acetate (98434-18-5) → 5-chloro-3-bromo-2-hydroxyacetophenone (59443-15-1)

Guidance literature:

With aluminum (III) chloride; at 135 ℃;

Reference yield:

2-bromo-4-chlorophenol (695-96-5) → 5-chloro-3-bromo-2-hydroxyacetophenone (59443-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 3 h / 0 °C

2: aluminum (III) chloride / 135 °C

With aluminum (III) chloride; triethylamine; In dichloromethane;

upstream raw materials:

5-chloro-2-hydroxyacetophenone

2-bromo-4-chlorophenyl acetate

2-bromo-4-chlorophenol

Downstream raw materials:

(E)-1-(3-Bromo-5-chloro-2-hydroxy-phenyl)-3-furan-2-yl-propenone

(E)-1-(3-Bromo-5-chloro-2-hydroxy-phenyl)-3-thiophen-2-yl-propenone

(2E,4E)-1-(3-Bromo-5-chloro-2-hydroxy-phenyl)-5-furan-2-yl-penta-2,4-dien-1-one

3-bromo-5-chloro-(p-methoxy)cinnamoyloxyacetophenone