Ethyl 5-nitro-1-benzofuran-2-carboxylate

Basic Information

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CAS Number

69604-00-8

Molecular Formula

C11H9NO5

Molecular Weight

235.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

359.7 ℃ at 760 mmHg

Density

1.362

Refractive Index

1.4950 (estimate)

SMILES

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CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

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

LogP

2.5177000000000005

Topological Polar Surface Area

82.57999999999998 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

314

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

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

MDL Number

MFCD00275272

FAQ

What are the physical and chemical properties of Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8)?

Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8) is a crystalline solid with a molecular weight of approximately 248.15 g/mol. It has a melting point of about 95-97°C and is slightly soluble in water. This compound is known for its reactivity, particularly in nucleophilic substitution and condensation reactions.

How is Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8) typically synthesized?

Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8) can be synthesized through the nitration of ethyl 1-benzofuran-2-carboxylate followed by purification. This process involves the use of concentrated nitric acid and sulfuric acid as reagents under controlled conditions to achieve high yield and selectivity.

What industries use Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8)?

Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8) is primarily used in the pharmaceutical industry due to its structural complexity and potential as a precursor for drug synthesis. It is also of interest in the polymer industry for its ability to enhance material properties.

What precautions should be taken when handling Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8)?

When handling Ethyl 5-nitro-1-benzofuran-2-carboxylate (CAS: 69604-00-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling and emergency procedures.