4-Chlorobenzyl acetate

Base Information

• Chemical Name: 4-Chlorobenzyl acetate
• CAS No.: 5406-33-7
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• Hs Code.: 2915390090
• European Community (EC) Number: 226-464-6
• NSC Number: 6987
• DSSTox Substance ID: DTXSID80202383
• Nikkaji Number: J217.971G
• Wikidata: Q83075661
• Mol file: 5406-33-7.mol

Synonyms:4-Chlorobenzyl acetate;5406-33-7;p-Chlorobenzyl acetate;(4-chlorophenyl)methyl acetate;4-Chlorobenzylacetate;Benzenemethanol, 4-chloro-, acetate;EINECS 226-464-6;AI3-20493;SCHEMBL197163;4-Chlorobenzyl acetate, 97%;Benzenemethanol (9CI), acetate;Benzyl alcohol (8CI), acetate;DTXSID80202383;NSC6987;Acetic acid 4-chloro-benzyl ester;Benzyl alcohol, p-chloro-, acetate;NSC 6987;NSC-6987;MFCD00027406;AKOS015913538;FT-0618194;3J-029

Chemical Property of 4-Chlorobenzyl acetate

Chemical Property:

• Vapor Pressure: 0.0455mmHg at 25°C
• Refractive Index: n20/D 1.5200(lit.)
• Boiling Point: 237.2°Cat760mmHg
• Flash Point: 106.5°C
• PSA: 26.30000
• Density: 1.197g/cm³
• LogP: 2.40310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzyl acetate 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(C=C1)Cl

Technology Process of 4-Chlorobenzyl acetate

There total 59 articles about 4-Chlorobenzyl 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) + para-Chlorobenzyl alcohol (873-76-7) → 4-chlorobenzyl acetate (5406-33-7)

Guidance literature:

(NH₄)8[CeW₁₀O₃₆]*20H₂O; for 0.0833333h; Heating;

DOI:10.1007/s00706-004-0196-4

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) + ethyl acetate (141-78-6) → 4-chlorobenzyl acetate (5406-33-7)

Guidance literature:

With [Zn(BH₄)2(nmi)]; In diethyl ether; at 20 ℃; for 2h;

Reference yield: 97.0%

1-chloro-4-[(methoxymethoxy)methyl]benzene (1200-16-4) + acetic anhydride (108-24-7) → 4-chlorobenzyl acetate (5406-33-7)

Guidance literature:

With 12-tungstophosphoric acid immobilized on [bmim][FeCl₄]; at 120 - 130 ℃; for 0.0166667h; Microwave irradiation;

DOI:10.1007/BF03249085

upstream raw materials:

potassium acetate

1-Chloro-4-(chloromethyl)benzene

4-chlorobenzyl bromide

para-chlorotoluene

Downstream raw materials:

para-Chlorobenzyl alcohol

4-chlorobenzaldehyde

ethanol

2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane