1-benzofuran-2-carboxylic acid

Basic Information

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CAS Number

496-41-3

Molecular Formula

C9H6O3

Molecular Weight

162.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

193.0 to 197.0 deg-C

Boiling Point

310-315℃

Flash Point

310-315℃

Refractive Index

1.5380 (estimate)

SMILES

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C1=CC=C2C(=C1)C=C(O2)C(=O)O

InChI

InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

InChIKey

OFFSPAZVIVZPHU-UHFFFAOYSA-N

LogP

2.1310000000000002

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

190

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H401 Toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-Benzofuran-2-carboxylic acid #
AB00533
Z56839706
J-640024
2-Carboxybenzofuran
FT-0622682
1-Benzofuran-2-carboxylic acid
benzofuran-2-carboxylicacid
EINECS 207-818-9
4oyp
MFCD00005848
NSC 6165
Q27269061
COUMARILIC ACID [MI]
BDBM50345230
DivK1c_001207
2-BENZOFURANCARBOXYLIC ACID
CS-W004676
Benzo[b]furan-2-carboxylic acid
Benzofuran-2-carboxylic acid, 99%
O11693
NCGC00324555-01
BZ2
F3096-1740
496-41-3
NSC-6165
7Z6NMG947L
Q-101915
B1981
Coumarilic acid
NS00031923

MDL Number

MFCD00005848

Customs Code

29329985

FAQ

What are the physical and chemical properties of 1-benzofuran-2-carboxylic acid (CAS: 496-41-3)?

1-Benzofuran-2-carboxylic acid (CAS: 496-41-3) is a crystalline solid with a molecular weight of approximately 184.17 g/mol. It has a pKa of about 4.3 and is slightly soluble in water. Chemically, it is reactive towards nucleophiles and can undergo esterification and amide formation reactions. It is also prone to hydrolysis under basic conditions.

How is 1-benzofuran-2-carboxylic acid (CAS: 496-41-3) typically synthesized?

1-Benzofuran-2-carboxylic acid (CAS: 496-41-3) can be synthesized by the condensation of benzoic acid and furan under acidic conditions. Alternatively, it can be prepared by the oxidation of 2-furanmethanol using potassium permanganate. These methods yield a product with a purity of over 95%.

What industries use 1-benzofuran-2-carboxylic acid (CAS: 496-41-3)?

1-Benzofuran-2-carboxylic acid (CAS: 496-41-3) is used in various industries, including pharmaceuticals for the synthesis of medicinal compounds, polymers for the production of resins and coatings, and sensors for detecting organic pollutants. It also has applications in the development of semiconductors and as a precursor in organic synthesis.

What precautions should be taken when handling 1-benzofuran-2-carboxylic acid (CAS: 496-41-3)?

When handling 1-Benzofuran-2-carboxylic acid (CAS: 496-41-3), wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a well-ventilated area away from heat sources. Use a fume hood during operations. In case of spill, use appropriate absorbent materials and dispose of the waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.