4-Bromo-1-benzothiophene-2-carboxylic acid

Basic Information

View in Editor

CAS Number

5194-37-6

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

272 ºC (ethanol )

Boiling Point

429.7°C at 760 mmHg

SMILES

View in Editor

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

InChI

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

InChIKey

LAYNZUFIYSYHIV-UHFFFAOYSA-N

LogP

3.362

Complexity

222

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BCP28443
A871113
P10257
MFCD03407342
LAYNZUFIYSYHIV-UHFFFAOYSA-N
5194-37-6
4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
SCHEMBL1091931
AMY29118
Benzo[b]thiophene-2-carboxylic acid, 4-bromo-
4-bromo-1-benzothiophene-2-carboxylic acid
Z1269230239
4-Bromobenzo[b]thiophene-2-carboxylic acid
J-514806
PB18598
AKOS005072800
DTXSID50541559
4-Bromobenzo[b]thiophene-2-carboxylicacid
FT-0681052
EN300-309250
CS-0041386
GA-0924
SY027454
4-Bromo-1-benzothiophene-2-carboxylic acid
Benzo[b]thiophene-2-carboxylicacid, 4-bromo-
4-Bromobenzothiophene-2-carboxylic acid

MDL Number

MFCD03407342

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6)?

4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6) has a crystalline form and a molecular weight of approximately 269.02 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. Chemically, it is reactive, particularly towards nucleophiles and electrophiles, and is often used in synthetic chemistry due to its bromine substituent.

How is 4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6) typically synthesized?

4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6) is typically synthesized by bromination of 1-benzothiophene-2-carboxylic acid using N-bromosuccinimide (NBS) in an appropriate solvent like dichloromethane (DCM). The reaction is usually conducted under light or heat and is highly selective for the bromination at the desired position.

What industries use 4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6)?

4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6) is used in various industries, particularly in pharmaceuticals and materials science. It serves as a key intermediate for the development of new drugs and is also employed in the synthesis of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6)?

When handling 4-Bromo-1-benzothiophene-2-carboxylic acid (CAS: 5194-37-6), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood and ensure proper ventilation. Spills should be cleaned up carefully, and consult the Safety Data Sheet (SDS) for specific instructions. This compound may cause irritation and should be handled with care to avoid exposure.