4'-Chloroacetophenone

Base Information

• Chemical Name: 4'-Chloroacetophenone
• CAS No.: 99-91-2
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 29147090
• European Community (EC) Number: 202-800-7
• NSC Number: 6115
• UNII: ZV4A71K303
• DSSTox Substance ID: DTXSID1052668
• Nikkaji Number: J38.176D
• Wikidata: Q27295903
• Metabolomics Workbench ID: 67545
• ChEMBL ID: CHEMBL608419
• Mol file: 99-91-2.mol

Synonyms:4-chloroacetophenone

Chemical Property of 4'-Chloroacetophenone

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 8 mm Hg ( 90 °C)
• Melting Point: 18 °C
• Refractive Index: n20/D 1.554(lit.)
• Boiling Point: 237.727 °C at 760 mmHg
• Flash Point: 107.069 °C
• PSA: 17.07000
• Density: 1.163 g/cm³
• LogP: 2.54260
• Storage Temp.: Store below +30°C.
• Solubility.: 111mg/l (slow decomposition)
• Water Solubility.: 111 mg/L (25 ºC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.0185425
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

p-Chloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+,Xn
• Statements: 22-26-37/38-41-36/37/38-36/37
• Safety Statements: 26-28-36/37/39-45-28A-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones, Halogenated
• Canonical SMILES: CC(=O)C1=CC=C(C=C1)Cl
• Uses: Chloroacetophenone is used as a tear gas for riot control and as a kind of chemical mace against small groups or individuals

Technology Process of 4'-Chloroacetophenone

There total 346 articles about 4'-Chloroacetophenone 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: 62.0%

1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone (38488-19-6) → para-chloroacetophenone (99-91-2) + diphenyldisulfane (882-33-7)

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1080/00397919608003547

Reference yield: 61.0%

(E)-1-(4-chlorophenyl)ethanone oxime (1956-39-4) → para-chloroacetophenone (99-91-2) + N-(4-chlorophenyl)acetamide (539-03-7)

Guidance literature:

With S₄N₄*SbCl₅; In toluene; at 60 ℃; for 1h;

DOI:10.3987/COM-98-8258

Reference yield: 43.0%

→ 3,4-Dimethylphenol (95-65-8) + para-chloroacetophenone (99-91-2) + 3,4-dimethylacetophenone (3637-01-2)

Guidance literature:

upstream raw materials:

4-vinylbenzyl chloride

Acetaldehyde oxime

4-chlorophenyldiazonium salt

p-chlorocinnamic acid

Downstream raw materials:

1,4-bis-[3-(4-chloro-phenyl)-3-oxo-propyl]-piperazine; dihydrochloride

(E)-1-(4-chlorophenyl)-3-(pyridin-2-yl)prop-2-en-1-one

2-(4-chlorophenyl)-6-methylquinoline-4-carboxylic acid

1-(4'-chlorophenyl)-1,3-butanedione

Refernces

• 1、 Geng, Haoxing,Liu, Xin,Zhu, Qing. "Visible light-mediated, high-efficiency oxidation of benzyl to acetophenone catalyzed by fluorescein". supporting information. . Retrieved 2021/12/20.
• 2、 Hu, Deqing,Jiang, Xuefeng. "Stepwise benzylic oxygenation via uranyl-photocatalysis". supporting information. p. 124 - 129. Retrieved 2022/01/19.