Description

(1-Benzothiophen-3-yl)boronic acid (CAS No. 113893-08-6) is a high-purity boronic acid derivative with the molecular formula C₈H₇BO₂S. This compound is a valuable building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stable boronic acid functional group. It features a benzothiophene core, making it useful for constructing heterocyclic compounds in pharmaceutical and materials science research. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 113893-08-6
• Complexity: 165
• IUPAC Name: benzothiophen-3-ylboronic acid
• InChI: InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
• InChI Key: QVANIYYVZZLQJP-UHFFFAOYSA-N
• Exact Mass: 178.0259808
• Molecular Formula: C8H7BO2S
• Molecular Weight: 178.02
• SMILES: B(C1=CSC2=CC=CC=C12)(O)O
• Topological: 68.7
• Monoisotopic Mass: 178.0259808
• Synonyms: (1-benzothiophen-3-yl)boronic acid, 808-005-7, 113893-08-6, Benzothiophene-3-boronic acid, 1-benzothiophen-3-ylboronic acid, benzo[b]thiophen-3-ylboronic acid, Benzo[b]thien-3-ylboronic acid, Benzo[b]thiophene-3-boronic acid, Boronic acid, B-benzo[b]thien-3-yl-, Thianaphthene-3-boronic acid, MFCD01114669, Benzothiophene-3- boronic acid, CHEMBL342173, benzo[b]thiophene3-boronic acid, Benzothiophen-3-ylboronic Acid, Boronic acid, benzo[b]thien-3-yl-, 1-Benzothiophene-3-boronic acid, 1-BENZOTHIEN-3-YLBORONIC ACID, SCHEMBL9024, benzo[b]thiophen-3-ylboronicacid, DTXSID30380004, 1-benzothiophen-3-yl-boronic acid, CS-D0898, STR07400, BDBM50067907, SBB089354, AKOS004116364, AB08320, FB46198, NCGC00092009-01, NCGC00092009-02, NCGC00092009-03, AC-33872, SY038283, DB-009571, B4774, Benzo[b]thien-3-ylboronic acid, >=95.0%, EN300-212528, Z1255383526, benzo[b]thiophen-3-ylboronic acid (contains varying amounts of Anhydride), Benzo[b]thiophene-3-boronic Acid (contains varying amounts of Anhydride)

Application

(1-Benzothiophen-3-yl)boronic acid is widely used in palladium-catalyzed cross-coupling reactions to synthesize biaryl and heteroaryl compounds. It serves as a key intermediate in the development of pharmaceuticals, agrochemicals, and organic electronic materials. Researchers also employ it in the synthesis of benzothiophene-based ligands for catalysis and sensor applications.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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