ChemicalBook--->CAS DataBase List--->69604-00-8

69604-00-8

69604-00-8 Structure

69604-00-8 Structure
IdentificationBack Directory
[Name]

ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE
[CAS]

69604-00-8
[Synonyms]

Vilazodone INT 1
ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE
Methyl5-nitrobenzofuran-2-carboxylate
ethyl 5-nitro-1-benzofuran-2-carboxylate
ETHYL 5-NITROBENZO[B]FURAN-2-CARBOXYLATE
Ethyl 5-nitrobenzofuran-2-carboxylate 97%
Ethyl 5-nitro-benzofuran-2-carboxylate, GC 97%
5-NITRO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER
5-Nitrobenzofuran-2-carboxylic acid methyl ester
5-Nitrobenzofuran-2-carboxylic acid ethyl esther
2-Benzofurancarboxylicacid, 5-nitro-, ethyl ester
5-NITROBENZO[B]FURAN-2-CARBOXYLIC ACID ETHYL ESTER
[Molecular Formula]

C11H9NO5
[MDL Number]

MFCD00275272
[MOL File]

69604-00-8.mol
[Molecular Weight]

235.19
Chemical PropertiesBack Directory
[Appearance]

Light yellow to light brown powder
[Melting point ]

150 °C
[Boiling point ]

377.58°C (rough estimate)
[density ]

1.362
[refractive index ]

1.4950 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

slightly sol. in Acetone
[form ]

powder to crystal
[color ]

Light yellow to Amber to Dark green
[InChI]

1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
[InChIKey]

ATHBGWVHAWGMAL-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1cc2cc(ccc2o1)[N+]([O-])=O
Hazard InformationBack Directory
[Chemical Properties]

Light yellow to light brown powder
[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 anaesthe tics. 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.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29329990
[Storage Class]

13 - Non Combustible Solids
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