5-Bromofuran-2-carboxylic acid

Base Information

• Chemical Name: 5-Bromofuran-2-carboxylic acid
• CAS No.: 585-70-6
• Molecular Formula: C5H3BrO3
• Molecular Weight: 190.981
• Hs Code.: 29321900
• European Community (EC) Number: 209-559-7
• NSC Number: 32221
• DSSTox Substance ID: DTXSID40207218
• Nikkaji Number: J188.454I
• Wikidata: Q27451676
• Mol file: 585-70-6.mol

Synonyms:585-70-6;5-Bromo-2-furoic acid;5-bromofuran-2-carboxylic acid;5-Bromofuroic acid;5-Bromo-furan-2-carboxylic acid;5-Bromo-2-furancarboxylic acid;2-Furancarboxylic acid, 5-bromo-;C5H3BrO3;MFCD00003239;5-Bromo-2-furanecarboxylic acid;2-Furoic acid, 5-bromo-;5-Bromo furan-2-carboxylic acid;EINECS 209-559-7;AI3-23597;5-Bromofuroic?acid;5-bromofuranoic acid;5-bromo-furoic acid;5-Bromopyromucic Acid;2-bromo-5-carboxyfuran;Maybridge3_000001;SCHEMBL216529;C5-H3-Br-O3;5-bromo-2-furan-carboxylic acid;5-Bromo-2-furoic acid, 99%;DTXSID40207218;HMS1431A01;NSC32221;STR05007;BBL009134;GEO-00461;NSC 32221;NSC-32221;STK010263;AKOS000119703;CS-W001115;FD17049;FS-1632;SB60909;IDI1_011388;NCGC00341661-01;AC-25748;BP-10329;SY023401;AM20100426;B1008;BB 0242385;FT-0620157;EN300-18159;AB00630119-03;A831929;AE-641/00180017;J-516936;Q27451676;Z57233752;F1716-0315;14J

Chemical Property of 5-Bromofuran-2-carboxylic acid

Chemical Property:

• Appearance/Colour: white to cream or beige crystalline flakes
• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 188-190 °C(lit.)
• Refractive Index: 1.4690 (estimate)
• Boiling Point: 281.6 °C at 760 mmHg
• PKA: 2.84±0.10(Predicted)
• Flash Point: 124.1 °C
• PSA: 50.44000
• Density: 1.891 g/cm³
• LogP: 1.74030
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.92656
• Heavy Atom Count: 9
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-furoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1=C(OC(=C1)Br)C(=O)O

Technology Process of 5-Bromofuran-2-carboxylic acid

There total 19 articles about 5-Bromofuran-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: 92.0%

C14H23BrO3Si → 5-bromo-furan-2-carboxylic acid (585-70-6)

Guidance literature:

With water; N,N-dimethyl-formamide; at 70 ℃; for 0.7h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2015.11.048

Reference yield: 91.0%

C21H21BrO3Si → 5-bromo-furan-2-carboxylic acid (585-70-6)

Guidance literature:

With water; N,N-dimethyl-formamide; at 70 ℃; for 0.7h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2015.11.048

Reference yield: 86.0%

2-furanoic acid (88-14-2) → 5-bromo-furan-2-carboxylic acid (585-70-6)

Guidance literature:

With bromine; acetic acid; In tetrachloromethane; at 60 ℃; for 24h;

upstream raw materials:

5-bromo-2-furancarboxaldehyde

2-furanoic acid

2-furoic acid methyl ester

2-bromo-1-(5-bromofuran-2-yl)ethanone

Downstream raw materials:

ethyl 5-bromofuran-2-carboxylate

2-phenylthiofuran

2-bromofuran

2-bromo-5-nitrofuran