2,4-Dichlorophenyl acetate

Base Information

• Chemical Name: 2,4-Dichlorophenyl acetate
• CAS No.: 6341-97-5
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 2915390090
• NSC Number: 48668
• UNII: EK7K3GHA54
• DSSTox Substance ID: DTXSID70872276
• Nikkaji Number: J33.482K
• Wikidata: Q63409277
• ChEMBL ID: CHEMBL245175
• Mol file: 6341-97-5.mol

Synonyms:2,4-Dichlorophenyl acetate;2,4-Dichlorophenol acetate;6341-97-5;PHENOL, 2,4-DICHLORO-, ACETATE;(2,4-dichlorophenyl) acetate;NSC 48668;BRN 1948460;EK7K3GHA54;AI3-17249;NSC-48668;starbld0018349;UNII-EK7K3GHA54;WLN: GR CG DOV1;Phenol,4-dichloro-, acetate;SCHEMBL134715;CHEMBL245175;2,4-dichlorophenoxyl acetic acid;DTXSID70872276;NSC48668;MFCD00276630;Acetic acid 2,4-dichlorophenyl ester;Acetic acid, 2,4-dichlorophenyl ester;BS-51160;LS-104327;FT-0691419;F72500;Q63409277

Chemical Property of 2,4-Dichlorophenyl acetate

Chemical Property:

• Vapor Pressure: 0.00772mmHg at 25°C
• Melting Point: 101-103 °C
• Refractive Index: 1.5684 (estimate)
• Boiling Point: 268.4°C at 760 mmHg
• Flash Point: 115.1°C
• PSA: 26.30000
• Density: 1.358g/cm³
• LogP: 2.91870
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

2,4-DICHLOROPHENYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichlorophenyl acetate

There total 10 articles about 2,4-Dichlorophenyl 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: 98.0%

acetyl chloride (75-36-5) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 1,3-dichloro-4-acetoxybenzene (6341-97-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/adsc.201900749

Reference yield: 97.0%

acetic anhydride (108-24-7) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 1,3-dichloro-4-acetoxybenzene (6341-97-5)

Guidance literature:

With polyvinylpolypyrrolidone supported triflic acid; In neat (no solvent); at 20 ℃; for 0.216667h; Green chemistry;

DOI:10.1007/s00706-016-1897-1

Reference yield: 6.0%

2-(2,4-dichlorophenoxy)propionic acid (120-36-5) → 2-monochlorophenol (95-57-8) + 1,3-dichloro-4-acetoxybenzene (6341-97-5) + 2-(2-chlorophenoxy)propionic acid (76466-16-5) + 4-chloro-phenol (106-48-9,82344-39-6) + 2,4-dichlorophenol (120-83-2,40477-79-0) + 2-(4-chloro-2-hydroxyphenoxy)propionic acid lactone

Guidance literature:

With air; In water; for 7h; Product distribution; Ambient temperature; Irradiation; also under argon atmosphere; photodegradation pathways;

DOI:10.1021/jf960699l

upstream raw materials:

acetic anhydride

2,4-dichlorophenol

acetyl chloride

3,4-dinitro-phenyl-acetate

Downstream raw materials:

(S)-1-phenylethyl acetate

(R)-1-phenethyl acetate

1-(3,5-dichloro-2-methoxy-phenyl)-ethanone

1-(3,5-dichloro-2-hydroxyphenyl)-1-(5-fluoro-2-hydroxy-3-hydroxy methyl phenyl) ethane