5-broMo-4-chlorothiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-broMo-4-chlorothiophene-2-carboxylic acid
• CAS No.: 123418-69-9
• Molecular Formula: C5H2BrClO2S
• Molecular Weight: 241.493
• Hs Code.: 2934999090
• European Community (EC) Number: 887-598-4
• DSSTox Substance ID: DTXSID60586279
• Wikidata: Q72453673
• Mol file: 123418-69-9.mol

Synonyms:5-broMo-4-chlorothiophene-2-carboxylic acid;123418-69-9;2-Thiophenecarboxylic acid, 5-bromo-4-chloro-;SCHEMBL1530004;DTXSID60586279;KDAAIEHVVGYWRT-UHFFFAOYSA-N;AMY27483;YEA41869;MFCD08694669;AKOS000280518;AS-66524;DA-37751;5-Bomo-4-chloro-2-thiophenecarboxylic acid;5-broMo-4-chlorothiophene-2-carboxylicacid;CS-0187120;EN300-41390;C71923;5-Bromo-4-chloro-2-thiophenecarboxylic acid, AldrichCPR;Z419107952

Chemical Property of 5-broMo-4-chlorothiophene-2-carboxylic acid

Chemical Property:

• Boiling Point: 348.0±42.0 °C(Predicted)
• PKA: 3.31±0.10(Predicted)
• PSA: 65.54000
• Density: 2.019±0.06 g/cm3(Predicted)
• LogP: 2.86220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.86474
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-4-chlorothiophene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1Cl)Br)C(=O)O

Technology Process of 5-broMo-4-chlorothiophene-2-carboxylic acid

There total 5 articles about 5-broMo-4-chlorothiophene-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: 81.0%

4-Chloro-2-thiophenecarboxylic Acid (59614-95-8) → 5-bromo-4-chlorothiophene-2-carboxylic acid (123418-69-9)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 50 ℃; for 12h;

Reference yield: 71.63%

1-(5-bromo-4-chlorothiophen-2-yl)ethan-1-one (123418-66-6) → 5-bromo-4-chlorothiophene-2-carboxylic acid (123418-69-9)

Guidance literature:

With water; bromine; sodium hydroxide; In 1,4-dioxane; at 15 ℃; for 15h;

Reference yield:

1-(4-chlorothiophen-2-yl)ethan-1-one (34730-20-6) → 5-bromo-4-chlorothiophene-2-carboxylic acid (123418-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / Br₂, AlCl₃ / CHCl₃ / 2 h / Heating

2: 1) NaOH, Cl₂ / 1) H₂O, -10 deg C, 2) 50 deg C

With sodium hydroxide; aluminium trichloride; bromine; chlorine; In chloroform;

DOI:10.1007/BF00809649

upstream raw materials:

1-(5-bromo-4-chlorothiophen-2-yl)ethan-1-one

2-Acetylthiophene

1-(4,5-Dichlor-2-thienyl)-ethanon

1-(4-chlorothiophen-2-yl)ethan-1-one