4-Chlorophenyl acetate

Base Information

• Chemical Name: 4-Chlorophenyl acetate
• CAS No.: 876-27-7
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2915390090
• NSC Number: 48669
• UNII: 257V876587
• DSSTox Substance ID: DTXSID80236502
• Nikkaji Number: J33.481B
• Wikidata: Q63409262
• NCI Thesaurus Code: C63700
• ChEMBL ID: CHEMBL449814
• Mol file: 876-27-7.mol

Synonyms:4-Chlorophenyl acetate;876-27-7;Acetic acid, 4-chlorophenyl ester;p-Acetoxychlorobenzene;p-Chlorophenyl acetate;(4-chlorophenyl) acetate;Acetic acid, p-chlorophenyl ester;p-Chlorophenylacetate;Phenol, p-chloro-, acetate;4-acetoxychlorobenzene;4-Monochlorophenol acetate;4-CHLOROPHENOL ACETATE;p-Chlorfenylester kyseliny octove;4-Acetoxyphenyl chloride;Chlorophenyl acetate, p-;NSC 48669;BRN 1909058;p-Chlorfenylester kyseliny octove [Czech];AI3-17300;NSC-48669;4-06-00-00839 (Beilstein Handbook Reference);257V876587;1-acetoxy-4-chlorobenzene;Acetic acid 4-chlorophenyl;WLN: GR DOV1;SCHEMBL76135;CHEMBL449814;DTXSID80236502;NSC48669;MFCD00623648;UNII-257V876587;AKOS006241574;AB06566;FS-4498;CS-0197466;FT-0647303;A51155;A862500;Q63409262

Chemical Property of 4-Chlorophenyl acetate

Chemical Property:

• Vapor Pressure: 0.0616mmHg at 25°C
• Boiling Point: 231.6°Cat760mmHg
• Flash Point: 106.3°C
• PSA: 26.30000
• Density: 1.227g/cm³
• LogP: 2.26530
• 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: 170.0134572
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99%, ^*data from raw suppliers

4-Chlorophenylacetate 95+% ^*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)Cl

Technology Process of 4-Chlorophenyl acetate

There total 49 articles about 4-Chlorophenyl 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%

acetic anhydride (108-24-7) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenyl acetate (876-27-7)

Guidance literature:

K5; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1007/s007060200010

Reference yield: 98.0%

4-chloro-phenol (106-48-9,82344-39-6) + acetyl chloride (75-36-5) → 4-chlorophenyl acetate (876-27-7)

Guidance literature:

With Fe/SWCNTs; at 20 ℃; for 0.333333h;

DOI:10.1002/adsc.201000365

Reference yield: 97.0%

acetic acid (64-19-7,77671-22-8) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenyl acetate (876-27-7)

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:

acetic anhydride

4-chloro-phenol

Perbenzoic acid

para-chloroacetophenone

Downstream raw materials:

(R)-1-phenethyl acetate

1'-naphthacetophenone

1-(naphthalen-1-yl)ethyl acetate

(R)-1-phenylethanol

Refernces

• 1、 Alinejad, Sara,Donyapeyma, Ghazaleh,Rahmatpour, Ali. "Noncross-linked polystyrene nanoencapsulation of ferric chloride: A novel and reusable heterogeneous macromolecular Lewis acid catalyst toward selective acetylation of alcohols, phenols, amines, and thiols". . . Retrieved 2022/01/24.
• 2、 -. "Chromone dioxadiazole compound as well as preparation method and application thereof". Paragraph 0021-0023. . Retrieved 2021/10/30.