Ethyl 5-nitrobenzofuran-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-nitrobenzofuran-2-carboxylate
• CAS No.: 69404-00-8
• Molecular Formula: C11H9NO5
• Molecular Weight: 235.19
• Hs Code.: 29329990
• European Community (EC) Number: 614-989-7,672-147-4
• UNII: BWP4ZD8WZF
• DSSTox Substance ID: DTXSID50989694
• Wikidata: Q72476337
• Mol file: 69404-00-8.mol

Synonyms:Ethyl 5-nitrobenzofuran-2-carboxylate;69604-00-8;69404-00-8;ethyl 5-nitro-1-benzofuran-2-carboxylate;2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester;Ethyl 5-nitrobenzo[b]furan-2-carboxylate;BWP4ZD8WZF;5-Nitrobenzofuran-2-carboxylic acid ethyl ester;5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID ETHYL ESTER;MFCD00275272;ethyl 5-nitrobenzo[d]furan-2-carboxylate;UNII-BWP4ZD8WZF;SCHEMBL2249264;DTXSID50989694;AMY21658;BCP08877;CS-M1104;GEO-01364;AKOS005071959;BB-0814;AC-26406;ethyl-5-nitro-1-benzofuran-2-carboxylate;SY024789;E0950;Ethyl 5-nitrobenzofuran-2-carboxylate, 97%;FT-0620704;FT-0680847;2-Benzofurancarboxylicacid,5-nitro-,ethyl ester;I11522;5-Nitro-benzofuran-2-carboxylic acid ethyl ester;A836478;A866800;J-521153;J-640084;J-800067;W-200484

Chemical Property of Ethyl 5-nitrobenzofuran-2-carboxylate

Chemical Property:

• Melting Point: 150-155 °C
• Boiling Point: 359.698 °C at 760 mmHg
• Flash Point: 171.34 °C
• PSA: 85.26000
• Density: 1.363 g/cm³
• LogP: 3.04090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.04807239
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl5-Nitro-1-benzofuran-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
• Uses: Deriatives of benzofuran-2-carboxylic acid are known for exhibiting various pharmacological activities such as selective adenosine A2A receptor antagonists, anti-inflammatory agents and local anaesthetics. Benzofuran-2-carboxylic acids bearing benzoyl nitrogen such as Ethyl 5-Nitrobenzofuran-2-carboxylate, are used as DNA-binding groups, where the these structural subunits mimic natural antitumor agents such as duocarmycin and netropsin.