5-Bromo-1-benzothiophene-2-carboxylic acid

Basic Information

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CAS Number

7312-10-9

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

230-234°C

SMILES

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C1=CC2=C(C=C1Br)C=C(S2)C(=O)O

InChI

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

InChIKey

ONNFNEFYXIPHCA-UHFFFAOYSA-N

LogP

3.362

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

222

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-bromobenzothiophene-2-carboxylic acid
5-BROMO-1-BENZOTHIOPHENE-2-CARBOXYLICACID
AN-278/13643032
SCHEMBL700588
SY104077
DTXSID20353282
J-516786
5-bromo-1-benzothiophene-2-carboxylic acid
5-Bromo-benzo[b]thiophene-2-carboxylic acid
EN300-186714
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-
FD7313
Benzo[b]thiophene-2-carboxylicacid, 5-bromo-
5-bromo-1-benzothiophene-2-carboxylic acid, AldrichCPR
CS-0033871
MFCD01929338
7312-10-9
FT-0680322
Z1269202680
BP-13232
3T-1185
AKOS005070291
ONNFNEFYXIPHCA-UHFFFAOYSA-N
AMY33892
5-bromobenzo[b]thiophene-2-carboxylic acid
5-Bromobenzo[b]thiophene-2-carboxylic acid
5-Bromo-1-benzothiophene-2-carboxylic acid
5-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
5-Brom-benzo[b]thiophen-2-carbonsaeure
5-BROMO-BENZOTHIOPHENE-2-CARBOXYLIC ACID
5-Brom-thionaphthen-2-carbonsaeure

MDL Number

MFCD01929338

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 7312-10-9)?

5-Bromo-1-benzothiophene-2-carboxylic acid is a crystalline solid with a molecular weight of approximately 268.12 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is known for its aromatic reactivity and can undergo substitution reactions. It is used in organic synthesis and pharmaceutical applications.

How is 5-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 7312-10-9) typically synthesized?

5-Bromo-1-benzothiophene-2-carboxylic acid is typically synthesized via bromination of 1-benzothiophene-2-carboxylic acid using N-bromosuccinimide (NBS) as the brominating agent. The reaction proceeds under UV light in the presence of a suitable solvent such as dichloromethane. The yield is generally high, and the product can be isolated by recrystallization.

What industries use 5-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 7312-10-9)?

5-Bromo-1-benzothiophene-2-carboxylic acid is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of antitumor drugs. It is also utilized in the production of organic electronic materials, such as semiconductors and organic light-emitting diodes (OLEDs). Additionally, it has applications in the preparation of polymer-based sensors.

What precautions should be taken when handling 5-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 7312-10-9)?

When handling 5-Bromo-1-benzothiophene-2-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be used in a well-ventilated area or a fume hood to minimize exposure to bromine fumes. In case of a spill, it is important to follow the material safety data sheet (MSDS) guidelines for proper disposal and clean-up. Always consult the SDS for detailed safety information.