2,5-Dichlorothiophene-3-carboxylic acid

Base Information

• Chemical Name: 2,5-Dichlorothiophene-3-carboxylic acid
• CAS No.: 36157-41-2
• Molecular Formula: C5H2Cl2O2S
• Molecular Weight: 197.042
• Hs Code.: 2934999090
• European Community (EC) Number: 627-676-5
• NSC Number: 14775
• DSSTox Substance ID: DTXSID20279958
• Nikkaji Number: J2.900.379C
• Wikidata: Q72468357
• ChEMBL ID: CHEMBL4288645
• Mol file: 36157-41-2.mol

Synonyms:2,5-Dichlorothiophene-3-carboxylic acid;36157-41-2;2,5-Dichloro-3-thiophenecarboxylic acid;2,5-Dichlorothiophene-3-carboxylicacid;3-Thiophenecarboxylic acid, 2,5-dichloro-;CHEMBL4288645;MFCD00082908;NSC14775;SCHEMBL792551;N-(2-chloroethyl)-benzylamine;DTXSID20279958;BDBM50467727;NSC 14775;NSC-14775;AKOS000122859;CS-W015685;GS-6803;PB12074;2,5-dichloro-thiophene-3-carboxylic acid;SY020987;AM20090574;FT-0610335;2,5-Dichlorothiophene-3-carboxylicacid,98+%;EN300-12413;2,5-Dichlorothiophene-3-carboxylic acid, 97%;J-507325;Z89283593;F2182-0127

Chemical Property of 2,5-Dichlorothiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000641mmHg at 25°C
• Melting Point: 147-151 °C(lit.)
• Boiling Point: 296.6 °C at 760 mmHg
• PKA: 3.36±0.30(Predicted)
• Flash Point: 133.2 °C
• PSA: 65.54000
• Density: 1.708 g/cm³
• LogP: 2.75310
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.9152559
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichlorothiophene-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1C(=O)O)Cl)Cl

Technology Process of 2,5-Dichlorothiophene-3-carboxylic acid

There total 9 articles about 2,5-Dichlorothiophene-3-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: 1.6%

2,5-diclorothiophene (3172-52-9,173777-89-4) → 2,5-dichlorothiophene-3-carboxylic acid (36157-41-2)

Guidance literature:

With palladium diacetate; sodium persulfate; In acetic acid; at 70 - 80 ℃; for 7h;

DOI:10.1246/cl.1983.127

Reference yield:

thiophene-3-carboxylic acid ethyl ester (5751-80-4) + ethyl 2,5-dichlorothiophene-3-carboxylate (130562-95-7) + sodium thiosulfate → 2,5-dichlorothiophene-3-carboxylic acid (36157-41-2)

Guidance literature:

With sodium hydroxide; sulfuryl dichloride; In tetrahydrofuran; ethanol; acetonitrile;

Reference yield:

3-acetyl-2,5-dichlorothiophene (36157-40-1) → 2,5-dichlorothiophene-3-carboxylic acid (36157-41-2)

Guidance literature:

With sodium hypochlorite;

DOI:10.1021/ja01204a050

upstream raw materials:

2,5-dichlorothiophene-4-carboxaldehyde

2-chlorothiophene-4-carboxylic acid

2-chlorothiophene-3-carboxylic acid

3-acetyl-2,5-dichlorothiophene

Downstream raw materials:

2,5-diclorothiophene

2,2',5,5'-tetrachloro-3,3'-bithiophene

2,5-dichloro-N-(2-hydroxy-4-methyl-phenyl)thiophene-3-carboxamide

Refernces

• 1、 -. "Phosphorylamides, their preparation and use". . . Retrieved 2008/06/13.