5-Bromo-1-benzothiophene-3-carboxylic acid

Basic Information

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CAS Number

7312-24-5

Molecular Formula

C9H5BrO2S

Molecular Weight

257.11 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

285-286 ºC

Boiling Point

429.662°C at 760 mmHg

Density

1.813

Flash Point

213.652°C

Refractive Index

1.739

SMILES

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C1=CC2=C(C=C1Br)C(=CS2)C(=O)O

InChI

InChI=1S/C9H5BrO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)

InChIKey

DWQBOPASRUUSKR-UHFFFAOYSA-N

LogP

3.362000000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

222

Safety Information

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Hazard Statement

Synonyms & References

English

5-bromo-benzo[b]thiophene-3-carboxylic acid
Benzo[b]thiophene-3-carboxylic acid, 5-bromo-
AMY24860
A9461
5-Bromo-1-benzothiophene-3-carboxylic acid #
DTXSID10347397
Z329734226
CS-0207420
TS-03464
AKOS000216209
F30058
J-517154
5-Bromo-1-benzothiophene-3-carboxylic acid
SCHEMBL2082067
5-BROMOBENZO[B]THIOPHENE-3-CARBOXYLIC ACID
MFCD06797473
Benzo[b]thiophene-3-carboxylicacid, 5-bromo-
5-Bromobenzo(b)thiophene-3-carboxylic acid
7312-24-5
EN300-126499
5-Bromobenzo[b]thiophene-3-carboxylicacid
FT-0636431
5-Bromobenzo[b]thiophene-3-carboxylic acid
AC1LDLZD
CTK2H6870
SBB053262
SureCN2082067
5-bromo-1-benzothiophene-3-carboxylic acid

MDL Number

MFCD06797473

FAQ

What are the physical and chemical properties of 5-Bromo-1-benzothiophene-3-carboxylic acid (CAS: 7312-24-5)?

5-Bromo-1-benzothiophene-3-carboxylic acid is a white crystalline solid with a molecular weight of approximately 248.01 g/mol. It has low water solubility and is slightly soluble in common organic solvents. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but requires minimal precautions due to its low reactivity.

How is 5-Bromo-1-benzothiophene-3-carboxylic acid (CAS: 7312-24-5) typically synthesized?

5-Bromo-1-benzothiophene-3-carboxylic acid is commonly synthesized via bromination of 1-benzothiophene-3-carboxylic acid using N-bromosuccinimide (NBS) in the presence of a suitable catalyst such as benzoyl peroxide. The reaction is typically carried out under mild conditions, and the yield is moderate to good, depending on the purification method chosen.

What industries use 5-Bromo-1-benzothiophene-3-carboxylic acid (CAS: 7312-24-5)?

5-Bromo-1-benzothiophene-3-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry for the development of functional polymers, and in the semiconductor industry for the production of advanced materials. Additionally, it finds applications in the sensor technology sector due to its unique chemical properties.

What precautions should be taken when handling 5-Bromo-1-benzothiophene-3-carboxylic acid (CAS: 7312-24-5)?

When handling 5-Bromo-1-benzothiophene-3-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and laboratory coats. Work should be carried out in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate materials, and the material safety data sheet (MSDS) should be consulted for detailed handling and emergency procedures.