3-Bromothiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Bromothiophene-2-carboxylic acid
• CAS No.: 7311-64-0
• Molecular Formula: C5H3BrO2S
• Molecular Weight: 207.048
• Hs Code.: 29349990
• European Community (EC) Number: 629-183-0
• DSSTox Substance ID: DTXSID30372328
• Nikkaji Number: J1.423.658I
• Wikidata: Q72513050
• Mol file: 7311-64-0.mol

Synonyms:3-Bromothiophene-2-carboxylic acid;7311-64-0;3-bromo-2-thiophenecarboxylic acid;3-BROMO-2-THENOIC ACID;2-THIOPHENECARBOXYLIC ACID, 3-BROMO-;MFCD00052291;3-Bromothiophene-2-carboxylicacid;Maybridge1_007344;bromothiophenecarboxylic;SCHEMBL399760;HMS562F18;bromo-thiophene-2-carboxylic acid;DTXSID30372328;3-bromothiphene-2-carboxylic acid;VQQLWBUTTMNMFT-UHFFFAOYSA-N;2-(3-bromothienyl)carboxylic acid;3-Bromo-thiopene-2-carboxylic acid;BCP27553;3-bromo-thiophene 2-carboxylic acid;3-bromo-thiophene-2-carboxylic acid;GEO-00584;STL426212;AKOS005259524;CCG-248277;CS-W004773;FS-1606;PB25929;SY017647;3-Bromothiophene-2-carboxylic acid, 97%;AM20100700;B4605;FT-0600872;EN300-42764;AF-960/00468043;W-200497;Z431551012

Chemical Property of 3-Bromothiophene-2-carboxylic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000156mmHg at 25°C
• Melting Point: 197-201 °C
• Boiling Point: 318 °C at 760 mmHg
• PKA: 3.09±0.10(Predicted)
• Flash Point: 146.1 °C
• PSA: 65.54000
• Density: 1.923 g/cm³
• LogP: 2.20880
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.90371
• Heavy Atom Count: 9
• Complexity: 128

Purity/Quality:

99.9% ^*data from raw suppliers

3-Bromothiophene-2-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-36/37/38
• Safety Statements: 36/37-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1Br)C(=O)O

Technology Process of 3-Bromothiophene-2-carboxylic acid

There total 12 articles about 3-Bromothiophene-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: 100.0%

methyl 3-bromothiophene-2-carboxylate (26137-08-6) → 3-bromothiophene-2-carboxylic acid (7311-64-0)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.5h; Heating;

Reference yield: 89.0%

2,3-dibromothiophen (3140-93-0) + carbon dioxide (124-38-9,18923-20-1) → 3-bromothiophene-2-carboxylic acid (7311-64-0)

Guidance literature:

2,3-dibromothiophen; With n-butyllithium; In diethyl ether; at -78 ℃; for 0.166667h; Inert atmosphere;

carbon dioxide; In diethyl ether; at -78 ℃; for 0.5h;

DOI:10.1039/c1cc14179a

Reference yield: 77.0%

3-Bromothiophene (872-31-1) → 3-bromothiophene-2-carboxylic acid (7311-64-0)

Guidance literature:

3-Bromothiophene; With lithium diisopropyl amide; In tetrahydrofuran; hydrogenchloride; diethyl ether; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; at -72 - -68 ℃; for 2.66h;

With carbon dioxide; In tetrahydrofuran; diethyl ether;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water; pH=1 - 2;

upstream raw materials:

3-Bromothiophene

n-butyllithium

diethyl ether

2,3-dibromothiophen

Downstream raw materials:

3,5-dibromothiophene-2-carboxylic acid

thiophene-2,3-dicarboxylic acid

3-bromo-thiophene-2-carbonyl chloride

methyl 3-bromothiophene-2-carboxylate