2-chlorothiophene-3-carboxylic Acid

Base Information

• Chemical Name: 2-chlorothiophene-3-carboxylic Acid
• CAS No.: 53935-71-0
• Molecular Formula: C5H3ClO2S
• Molecular Weight: 162.597
• Hs Code.: 2934999090
• European Community (EC) Number: 691-568-4
• DSSTox Substance ID: DTXSID40394798
• Wikidata: Q72459945
• Mol file: 53935-71-0.mol

Synonyms:2-chlorothiophene-3-carboxylic Acid;53935-71-0;2-chloro-3-thiophenecarboxylic acid;MFCD00098423;3-Thiophenecarboxylic acid, 2-chloro-;2-Chlorothiophene-3-carboxylicacid;SCHEMBL1323870;AMY7906;DTXSID40394798;DZVPSOCOJRCNIA-UHFFFAOYSA-N;BCP27876;AKOS006272146;CS-W005652;FS-2944;AC-33307;SY021357;A7834;FT-0648296;EN300-99508;J-509183;Z1198150549

Chemical Property of 2-chlorothiophene-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Melting Point: 163 °C
• Refractive Index: 1.623
• Boiling Point: 280.9 °C at 760 mmHg
• PKA: 3?+-.0.20(Predicted)
• Flash Point: 123.7 °C
• PSA: 65.54000
• Density: 1.572 g/cm³
• LogP: 2.09970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.9542282
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorothiophene-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C1C(=O)O)Cl
• Uses: 2-Chlorothiophene-3-carboxylic Acid is similiar to 5-Chloro-2-thiophenecarboxylic Acid (C420500) which is a metabolite of Rivaroxaban (R538000).

Technology Process of 2-chlorothiophene-3-carboxylic Acid

There total 4 articles about 2-chlorothiophene-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: 90.0%

→ 2-chlorothiophene-3-carboxylic acid (53935-71-0)

Guidance literature:

Reference yield:

2-chlorothiophene-3-carboxaldehyde (14345-98-3) + sodium chlorite (7758-19-2) + sodium dihydrogen phosphate → 2-chlorothiophene-3-carboxylic acid (53935-71-0)

Guidance literature:

With dihydrogen peroxide; In water; acetonitrile;

Reference yield:

2-chlorothiophene-3-carboxaldehyde (14345-98-3) → 2-chlorothiophene-3-carboxylic acid (53935-71-0)

Guidance literature:

With sodium hydroxide; ethanol; silver(l) oxide;

DOI:10.1021/ja01169a094

upstream raw materials:

2-chlorothiophene-3-carboxaldehyde

3-bromo-2-chlorothiophene

carbon dioxide

sodium chlorite

Downstream raw materials:

3-hydroxymethyl-thiophene

methyl 2-chlorothiophene-3-carboxylate

Refernces

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