Description

2-Bromo-4,5,6,7-tetrahydrobenzo(b)thiophene (CAS No. 111873-07-5) is a high-purity brominated heterocyclic compound with the molecular formula C₈H₉BrS. This specialized chemical is widely utilized as a key intermediate in organic synthesis, pharmaceutical research, and materials science applications. The compound features a tetrahydrobenzo[b]thiophene core structure with a reactive bromine substituent at the 2-position, making it a valuable building block for further functionalization. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. This product is intended for research purposes only and is not for human or veterinary use.

Properties

• CAS Number: 111873-07-5
• Complexity: 126
• IUPAC Name: 2-bromo-4,5,6,7-tetrahydrobenzothiophene
• InChI: InChI=1S/C8H9BrS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4H2
• InChI Key: CJRRLCPMBQMCRO-UHFFFAOYSA-N
• Exact Mass: 215.96083
• Molecular Formula: C8H9BrS
• Molecular Weight: 217.13
• SMILES: C1CCC2=C(C1)C=C(S2)Br
• Topological: 28.2
• Monoisotopic Mass: 215.96083
• Synonyms: 2-Bromo-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-Bromo-4,5,6,7-tetrahydrobenzo(b)thiophene, 892-863-2, 111873-07-5, 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene, Benzo[b]thiophene, 2-bromo-4,5,6,7-tetrahydro-, MFCD20037421, 2-bromo-4,5,6,7-tetrahydrobenzothiophene, SCHEMBL12665899, DTXSID10573053, CJRRLCPMBQMCRO-UHFFFAOYSA-N, AKOS016025628, AS-8913, AT29143, CS-0271682, EN300-1912009

2-Bromo-4,5,6,7-tetrahydrobenzo(b)thiophene serves as a versatile precursor in the synthesis of pharmaceutical compounds, particularly in the development of CNS-active agents and enzyme inhibitors. The bromine functionality enables efficient cross-coupling reactions for constructing complex molecular architectures. Researchers employ this compound in medicinal chemistry programs targeting neurological disorders and metabolic diseases. It also finds application in materials science as a building block for organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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