Description

1-Benzothiophene-3-carbaldehyde (CAS No. 5381-20-4) is a high-purity organic compound with the molecular formula C₉H₆OS. This aromatic aldehyde features a benzothiophene core functionalized with a formyl group at the 3-position, making it a versatile building block in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring optimal performance in demanding applications. Its unique structure enables use in heterocyclic synthesis, ligand design, and as a precursor for bioactive molecules. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. Available in research quantities from 100mg to 10kg with customizable packaging options.

Properties

• CAS Number: 5381-20-4
• Complexity: 158
• IUPAC Name: benzothiophene-3-carbaldehyde
• InChI: InChI=1S/C9H6OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
• InChI Key: WDJLPQCBTBZTRH-UHFFFAOYSA-N
• Exact Mass: 162.01393598
• Molecular Formula: C9H6OS
• Molecular Weight: 162.21
• SMILES: C1=CC=C2C(=C1)C(=CS2)C=O
• Topological: 45.3
• Monoisotopic Mass: 162.01393598
• Synonyms: 5381-20-4, Benzo[b]thiophene-3-carboxaldehyde, 1-benzothiophene-3-carbaldehyde, Benzo(b)thiophene-3-carboxaldehyde, DTXSID70280832, DTXCID30231986, 611-051-9, benzo[b]thiophene-3-carbaldehyde, Thianaphthene-3-carboxaldehyde, MFCD00052376, 88C6MH2ME3, CHEMBL596015, NSC-18872, benzothiophene-3-carbaldehyde, 3-Formylbenzo[b]thiophene, NSC18872, 3-formylbenzothiophene, UNII-88C6MH2ME3, SCHEMBL40953, SCHEMBL96527, thianapthene-3-carboxaldehyde, 3-Benzothiophenecarboxaldehyde, benzo[b]thiophene-3-aldehyde, benzothiophene-3-carboxaldehyde, 1-benzothiophene 3-carbaldehyde, benzo[b]thiophen-3-carbaldehyde, benzo[b]thiophen-3-carboxaldehyde, benzo[d]thiophen-3-carboxaldehyde, WDJLPQCBTBZTRH-UHFFFAOYSA-N, BDBM50358746, NSC 18872, SBB052322, Thianaphthene-3-carboxaldehyde, 95%, AKOS001261262, CS-W002251, HY-W002251, PS-4273, BP-12662, SY014520, DB-052401, B4086, NS00126253, ST51038486, EN300-24744, F0001-1398, Z199535912

Application

1-Benzothiophene-3-carbaldehyde serves as a key intermediate in the synthesis of pharmacologically active compounds, particularly in development of kinase inhibitors and antimicrobial agents. The aldehyde functionality allows for facile condensation reactions to create Schiff bases and other heterocyclic systems. Researchers utilize this compound in material science for constructing organic semiconductors due to its conjugated π-system. It also finds application in coordination chemistry as a ligand precursor for transition metal complexes.

Safety and Hazards

GHS Hazard Statements

• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.