Ethyl 4-chlorobenzoate

Base Information

• Chemical Name: Ethyl 4-chlorobenzoate
• CAS No.: 7335-27-5
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29339990
• European Community (EC) Number: 230-844-7
• NSC Number: 10859
• UNII: JE48T446WC
• DSSTox Substance ID: DTXSID9064631
• Nikkaji Number: J212.334G
• Wikidata: Q63399444
• Mol file: 7335-27-5.mol

Synonyms:Ethyl 4-chlorobenzoate;7335-27-5;Benzoic acid, 4-chloro-, ethyl ester;Ethyl p-chlorobenzoate;p-(Ethoxycarbonyl)phenyl chloride;Ethyl-4-chlorobenzoate;4-Chlorobenzoic Acid Ethyl Ester;Benzoic acid, p-chloro-, ethyl ester;4-(Ethoxycarbonyl)chlorobenzene;4-chloro-benzoic acid ethyl ester;EINECS 230-844-7;MFCD00013645;NSC 10859;NSC-10859;AI3-06083;ETHYL4-CHLOROBENZOATE;ethyl p-chlorobenzate;ethyl 4-chloro benzoate;SCHEMBL203843;JE48T446WC;DTXSID9064631;4-(Ethoxycarbonyl)phenyl chloride;Parachlorobenzoic acid ethyl ester;4-Chlorobenzoic acid, ethyl ester;NSC10859;BBL027799;CK2303;STL146558;AKOS000269038;AM61647;CS-W016987;AS-57681;SY023174;C1624;FT-0618184;J-520997;Q63399444;F1904-9848

Chemical Property of Ethyl 4-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.0432mmHg at 25°C
• Melting Point: 71-73 °C
• Refractive Index: 1.5240
• Boiling Point: 238.1 °C at 760 mmHg
• Flash Point: 107.2 °C
• PSA: 26.30000
• Density: 1,185 g/cm³
• LogP: 2.51670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• 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:

98%,99%, ^*data from raw suppliers

Ethyl 4-Chlorobenzoate >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-chlorobenzoate

There total 122 articles about Ethyl 4-chlorobenzoate 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: 92.0%

1-Chloro-4-iodobenzene (637-87-6) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → ethyl 4-chlorobenzoate (7335-27-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 4h;

DOI:10.1002/aoc.4714

Reference yield: 83.0%

p-chlorobenzaldehyde diethyl acetal (2403-61-4) → ethyl 4-chlorobenzoate (7335-27-5)

Guidance literature:

With N-hydroxyphthalimide; oxygen; cobalt(II) acetate; In acetonitrile; at 20 ℃; for 8h; under 760 Torr;

DOI:10.1055/s-2003-42396

Reference yield: 81.0%

ethanol (64-17-5) + para-Chlorobenzyl alcohol (873-76-7) → ethyl 4-chlorobenzoate (7335-27-5)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; In water; at 60 ℃; for 16h; Sealed tube;

DOI:10.1039/c4ob01524j

upstream raw materials:

4-Cyanochlorobenzene

ethanol

para-chlorobenzoic acid

2-(4-chloro-phenyl)-2-ethoxy-benzo[1,3]oxathiole

Downstream raw materials:

4-chlorocumyl alcohol

Methyl 4-chlorobenzoate

4-n-butylbenzoic acid ethyl ester

benzoic acid ethyl ester

Refernces

• 1、 -. "Oxazole ring-containing honokiol thioether derivative and preparation method and application thereof". Paragraph 0042-0044. . Retrieved 2021/08/11.
• 2、 Alfayomy, Abdallah M.,Abdel-Aziz, Salah A.,Marzouk, Adel A.,Shaykoon, Montaser Sh. A.,Narumi, Atsushi,Konno, Hiroyuki,Abou-Seri, Sahar M.,Ragab, Fatma A.F.. "Design and synthesis of pyrimidine-5-carbonitrile hybrids as COX-2 inhibitors: Anti-inflammatory activity, ulcerogenic liability, histopathological and docking studies". . . Retrieved 2021/01/04.