1-Benzofuran-6-carboxylic acid

Basic Information

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CAS Number

77095-51-3

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

Boiling Point

325.6°C at 760 mmHg

Density

1.363

Flash Point

150.693°C

Refractive Index

1.649

SMILES

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C1=CC(=CC2=C1C=CO2)C(=O)O

InChI

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

InChIKey

RVDHGRQELZPGCO-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

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

Synonyms & References

English

6-Benzofurancarboxylicacid
FT-0645503
MFCD01006751
EN300-78569
BCP16992
77095-51-3
RVDHGRQELZPGCO-UHFFFAOYSA-N
A838957
6-BENZOFURANCARBOXYLIC ACID
DTXSID30591395
SCHEMBL879386
SY046615
MB01639
B5U4E8V7RT
AM20041150
J-519749
1-benzofuran-6-carboxylic acid
cyclopenta[c]pyran-7-carboxylic acid
AKOS006274780
AC-29750
benzofuran-6-carboxylic acid
CS-W020469
DS-11168
Benzofuran-6-carboxylic acid
2,3-DIHYDROBENZOFURAN-6-CARBOXYLIC ACID
2,3-DICHLORO-1-PROPANOL-D5
6-carboxy-benzofuran
Benzofuran-6-carbonsaeure
benzo[b]furan-6-carboxylic acid
FCH842855
AS06444

MDL Number

MFCD01006751

Customs Code

2932999099

FAQ

What is 1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3)?

1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) is an organic compound featuring a benzene ring fused with a furan ring and a carboxylic acid group at position 6. Its chemical formula is C9H6O3, and it exists as a white crystalline solid with moderate solubility in organic solvents. This compound is known for its aromatic structure and potential applications in various chemical fields.

What are the main uses of 1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3)?

1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) is primarily used in pharmaceutical research as a building block for drug development, particularly in anti-inflammatory and antifungal agents. It also serves as an intermediate in the synthesis of specialty chemicals and natural products. Its unique structure makes it valuable in organic chemistry for creating derivatives with tailored properties.

Is 1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) safe?

1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) is generally considered safe when handled properly, but it may cause skin or eye irritation. Safety data sheets (SDS) recommend using personal protective equipment (PPE) like gloves and goggles. It should be stored in a well-ventilated area and handled according to standard chemical safety protocols to minimize risks.

How should 1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) be stored?

1-Benzofuran-6-carboxylic acid (CAS: 77095-51-3) should be stored in a cool, dry place, away from light and moisture. Keep in a sealed, airtight container made of glass or HDPE to maintain stability. Avoid exposure to high temperatures or humidity to prevent degradation. Proper storage ensures its chemical integrity and safety for handling.