5-(4-Chlorophenyl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-(4-Chlorophenyl)thiophene-2-carboxylic acid
• CAS No.: 40133-14-0
• Molecular Formula: C11H7 Cl O2 S
• Molecular Weight: 238.694
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20346593
• Nikkaji Number: J3.083.237J
• Wikidata: Q82119714
• Mol file: 40133-14-0.mol

Synonyms:5-(4-Chlorophenyl)thiophene-2-carboxylic acid;40133-14-0;5-(4-Chlorophenyl)-2-thiophenecarboxylic acid;5-(4-chlorophenyl)-thiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 5-(4-chlorophenyl)-;5-(4-Chlorophenyl)thiophene-2-carboxylicacid;SCHEMBL1144473;DTXSID20346593;BBL021986;MFCD00206435;STK894704;AKOS000352544;AT23719;NCGC00323116-01;BS-13998;BB 0222902;CS-0206166;FT-0761528;EN300-11100;5-(4-chloro-phenyl)-thiophene-2-carboxylic acid;AB00728669-01;AB00728669-03;5-(4-Chlorophenyl)-2-thiophenecarboxylic acid #;Z57033941

Chemical Property of 5-(4-Chlorophenyl)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.24E-08mmHg at 25°C
• Boiling Point: 418.7°Cat760mmHg
• Flash Point: 207°C
• PSA: 65.54000
• Density: 1.415g/cm³
• LogP: 3.76670
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.9855283
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99%, ^*data from raw suppliers

5-(4-Chlorophenyl)thiophene-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)Cl

Technology Process of 5-(4-Chlorophenyl)thiophene-2-carboxylic acid

There total 15 articles about 5-(4-Chlorophenyl)thiophene-2-carboxylic acid 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: 96.0%

ethyl 5-(4-chlorophenyl) thiophene-2-carboxylate (19282-40-7) → 5-(4-chlorophenyl)thiophene-2-carboxylic acid (40133-14-0)

Guidance literature:

ethyl 5-(4-chlorophenyl) thiophene-2-carboxylate; With sodium hydroxide; water; In methanol; for 6h; Heating / reflux;

With hydrogenchloride; In methanol; water; at 20 ℃; pH=3;

Reference yield: 86.0%

5-(4-chlorophenyl)thiophene-2-carboxaldehyde (38401-71-7) → 5-(4-chlorophenyl)thiophene-2-carboxylic acid (40133-14-0)

Guidance literature:

With sodium hydroxide; silver(l) oxide; In water; at 20 - 50 ℃;

DOI:10.1016/j.bmc.2003.08.009

Reference yield: 80.0%

2,2,-dithiobis<5-(p-chlorophenyl)-2,4-pentanedioic acid> (116016-54-7) → 5-(4-chlorophenyl)thiophene-2-carboxylic acid (40133-14-0)

Guidance literature:

With iodine; In 1,4-dioxane; at 80 ℃; for 24h;

upstream raw materials:

1-[5-(4-chlorophenyl)thiophen-2-yl]ethan-1-one

2,2,-dithiobis<5-(p-chlorophenyl)-2,4-pentanedioic acid>

5-(4-chlorophenyl)thiophene-2-carboxaldehyde

2-(4-chlorophenyl)thiophene

Downstream raw materials:

methyl 5-(4-chlorophenyl)thiophene-2-carboxylate