1-Benzothiophene-2-carboxylic acid

Basic Information

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CAS Number

6314-28-9

Molecular Formula

C9H6O2S

Molecular Weight

178.21 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

241-244 °C

Boiling Point

376.2°C at 760 mmHg

Density

1.3242 (rough estimate)

Water Solubility

Soluble in ethanol, acetone and chloroform. Insoluble in water.

Flash Point

181.3℃

Refractive Index

1.5480 (estimate)

SMILES

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C1=CC=C2C(=C1)C=C(S2)C(=O)O

InChI

InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

InChIKey

DYSJMQABFPKAQM-UHFFFAOYSA-N

LogP

2.599500000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

193

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

Synonyms & References

English

W-200470
AKOS000266073
BENZOTHIOFURAN-2-CARBOXYLIC ACID
NCGC00339347-01
1-Benzothiophene-2-carboxylic acid
SY003106
Z89265777
UNII-HLR49221FQ
Maybridge1_002631
BENZO-(B)-THIOPHENE-2-CARBOXYLIC ACID
Thianaphthene-2-carboxylic acid, 98%
DTXSID60212485
NS00035329
2-Carboxybenzothiophene
B2033
NSC-112990
GEO-02293
HLR49221FQ
FS-1519
SDCCGMLS-0065962.P001
FT-0601179
benzothiophene 2 carboxylic acid
CS-W004876
NSC40258
EN300-13076
benzothiophen-2-carboxylic acid
THIONAPHTHENE-2-CARBOXYLIC ACID [MI]
benzothiophene carboxylic acid
HMS548P13
BDBM50149218
Q27279999

MDL Number

MFCD00051636

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-Benzothiophene-2-carboxylic acid (CAS: 6314-28-9)?

1-Benzothiophene-2-carboxylic acid is a crystalline solid with a molecular weight of approximately 180.23 g/mol. It has a melting point of about 148-150°C and is slightly soluble in water. Chemically, it is moderately reactive, capable of undergoing esterification and condensation reactions. It shows good solubility in organic solvents like acetone and ethanol.

How is 1-Benzothiophene-2-carboxylic acid (CAS: 6314-28-9) typically synthesized?

1-Benzothiophene-2-carboxylic acid is typically synthesized via the hydrolysis of 1-benzothiophene-2-carboxylic anhydride using a strong acid catalyst like sulfuric acid. The yield is around 85-90%, and the reaction involves the addition of water to the anhydride, followed by neutralization of the acid to form the carboxylic acid.

What industries use 1-Benzothiophene-2-carboxylic acid (CAS: 6314-28-9)?

1-Benzothiophene-2-carboxylic acid is mainly used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry as a monomer for creating high-performance polymers. Additionally, it finds applications in the semiconductor industry for the production of photoresists and in the sensor industry for the development of gas sensors.

What precautions should be taken when handling 1-Benzothiophene-2-carboxylic acid (CAS: 6314-28-9)?

When handling 1-Benzothiophene-2-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is conducted in a well-ventilated environment or a fume hood. Spills should be carefully cleaned up using absorbent materials, followed by thorough rinsing with water. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.