Description

3,3-bis(bromomethyl)-2H,3H,4H-thieno(3,4-b)(1,4)dioxepine (CAS No. 701209-98-5) is a high-purity brominated heterocyclic compound with the molecular formula C₉H₁₀Br₂O₂S. This specialized chemical features a thieno[3,4-b][1,4]dioxepine core structure with two reactive bromomethyl groups at the 3-position, making it a valuable intermediate for organic synthesis and pharmaceutical research. The compound’s unique structure offers versatility in nucleophilic substitution reactions and polymer modifications. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency and stability. Suitable for use in controlled environments, this product is ideal for researchers developing novel materials, bioactive molecules, or functionalized polymers. Store under inert atmosphere at 2-8°C to maintain optimal stability.

Properties

• CAS Number: 701209-98-5
• Complexity: 183
• IUPAC Name: 3,3-bis(bromomethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
• InChI: InChI=1S/C9H10Br2O2S/c10-3-9(4-11)5-12-7-1-14-2-8(7)13-6-9/h1-2H,3-6H2
• InChI Key: JSDPDQPADLMIHM-UHFFFAOYSA-N
• Exact Mass: 341.87478
• Molecular Formula: C9H10Br2O2S
• Molecular Weight: 342.05
• SMILES: C1C(COC2=CSC=C2O1)(CBr)CBr
• Topological: 46.7
• Monoisotopic Mass: 339.87683
• Synonyms: 3,3-Bis(bromomethyl)-2H,3H,4H-thieno[3,4-b][1,4]dioxepine, 3,3-bis(bromomethyl)-2H,3H,4H-thieno(3,4-b)(1,4)dioxepine, 994-273-1, 701209-98-5, 3,3-bis(bromomethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine, 2H-Thieno[3,4-b][1,4]dioxepin, 3,3-bis(bromomethyl)-3,4-dihydro-, 3,3-bis(bromomethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine, SCHEMBL181627, DTXSID70732447, BDB20998, MFCD30534270, BS-52663, E85501, EN300-1708024, 2H-Thieno[3,4-b][1,4]dioxepin,3,3-bis(bromomethyl)-3,4-dihydro-

Application

This brominated thienodioxepine derivative serves as a key building block in medicinal chemistry for the synthesis of sulfur-containing heterocycles with potential biological activity. Its dual bromomethyl groups enable facile functionalization for creating polymer precursors or crosslinking agents in material science. Researchers utilize this compound in developing conductive polymers and photoactive materials due to its electron-rich thiophene moiety. The reactive handles also make it valuable for constructing complex molecular architectures in drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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