4-Bromophenyl acetate

Base Information

• Chemical Name: 4-Bromophenyl acetate
• CAS No.: 1927-95-3
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.046
• Hs Code.: 2915390090
• European Community (EC) Number: 217-668-6
• NSC Number: 404083
• DSSTox Substance ID: DTXSID00883774
• Nikkaji Number: J122.290B
• Wikidata: Q72449049
• ChEMBL ID: CHEMBL456665
• Mol file: 1927-95-3.mol

Synonyms:4-Bromophenyl acetate;1927-95-3;4-Bromophenol acetate;(4-bromophenyl) acetate;4-Bromophenylacetate;p-Acetoxybromobenzene;p-Bromophenyl acetate;Phenol, 4-bromo-, acetate;Acetic acid 4-bromophenyl ester;Phenol, p-bromo-, acetate;4-Bromoacetoxybenzene;Phenol, 4-bromo-, 1-acetate;EINECS 217-668-6;NSC 404083;AI3-17302;MFCD00560954;EC 217-668-6;p- Bromphenylacetat;4-acetoxybromobenzene;4-Bromophenyl acetate #;1-Acetoxy-4-bromobenzene;4-BROMOPHENOLACETATE;SCHEMBL154474;CHEMBL456665;acetic acid 4-bromo-phenyl ester;Acetic acid, 4-bromophenyl ester;DTXSID00883774;NSC404083;AKOS002950982;NSC-404083;AS-19187;LS-104089;CS-0155018;FT-0663823;Phenol, p-bromo-, acetate (6CI,7CI,8CI);I10246;W-109727

Chemical Property of 4-Bromophenyl acetate

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 0.0211mmHg at 25°C
• Melting Point: 21.5 °C
• Refractive Index: 1.544
• Boiling Point: 250.9 °C at 760 mmHg
• Flash Point: 105.5 °C
• PSA: 26.30000
• Density: 1.501 g/cm³
• LogP: 2.37440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

≥99.0% ^*data from raw suppliers

4-BromophenolAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)Br

Technology Process of 4-Bromophenyl acetate

There total 44 articles about 4-Bromophenyl acetate 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: 100.0%

4-bromo-phenol (106-41-2) + acetic anhydride (108-24-7) → 4-bromophenyl acetate (1927-95-3)

Guidance literature:

With magnesium(II) perchlorate; at 80 ℃; for 0.25h;

DOI:10.1016/j.tet.2003.08.007

Reference yield: 100.0%

p-Iodophenol (540-38-5) + n-decanoyl chloride (112-13-0) → 4-bromophenyl acetate (1927-95-3)

Guidance literature:

With triethylamine; In chloroform; at 10 ℃; Inert atmosphere;

Reference yield: 97.0%

4-bromo-phenol (106-41-2) + acetic acid (64-19-7,77671-22-8) → 4-bromophenyl acetate (1927-95-3)

Guidance literature:

With 50wtpercent Cs_2.5H_0.5PW₁₂O₄₀ supported on MCM-41; In acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1007/s12039-012-0291-8

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

Phenyl acetate

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

Downstream raw materials:

p-acetoxystyrene

4-bromo-phenol

N-acetyl-1-dodecylamine

propionic acid

Refernces

• 1、 Mandal, Tanmoy,Yadav, Sudha,Choudhury, Joyanta. "Steric effect of NHC ligands in Pd(II)–NHC-catalyzed non-directed C–H acetoxylation of simple arenes". . . Retrieved 2021/09/06.
• 2、 -. "(4-HYDROXYPYRROLIDIN-2-YL)-HYDROXAMATE COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 0657. . Retrieved 2019/05/15.