Description

4-Bromo-2,1,3-benzothiadiazole (CAS No. 22034-13-5) is a high-purity heterocyclic compound with the molecular formula C₆H₃BrN₂S. This brominated benzothiadiazole derivative is widely used in organic synthesis, pharmaceutical research, and material science due to its versatile reactivity and structural properties. It serves as a key intermediate in the preparation of advanced organic semiconductors, fluorescent probes, and biologically active molecules. With exceptional stability and well-characterized purity, this compound is ideal for researchers requiring precise and reliable building blocks for complex chemical transformations. Available in various quantities, it is rigorously tested to meet the highest industry standards for consistency and performance.

Properties

• CAS Number: 22034-13-5
• Complexity: 133
• IUPAC Name: 4-bromo-2,1,3-benzothiadiazole
• InChI: InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
• InChI Key: KYKBVPGDKGABHY-UHFFFAOYSA-N
• Exact Mass: 213.92003
• Molecular Formula: C6H3BrN2S
• Molecular Weight: 215.07
• SMILES: C1=CC2=NSN=C2C(=C1)Br
• Topological: 54
• Monoisotopic Mass: 213.92003
• Synonyms: 4-Bromo-2,1,3-benzothiadiazole, 22034-13-5, 4-Bromobenzo[c][1,2,5]thiadiazole, DTXSID10353039, 4-bromobenzo(c)(1,2,5)thiadiazole, DTXCID10304102, 841-982-8, 947-461-2, 4-Bromo-benzo[1,2,5]thiadiazole, MFCD00614355, F1918-0061, 4-bromobenzo[c]1,2,5-thiadiazole, YSZC564, SCHEMBL432155, SCHEMBL8482336, CHEMBL2409294, SCHEMBL11060078, KYKBVPGDKGABHY-UHFFFAOYSA-N, 4-bromo-benz-2,1,3-thiadiazole, SMSSF-0044288, BCP31286, SBB040065, STK015051, AKOS000271198, CS-W018450, PD148329, SY037893, TS-03068, DB-000213, ST45174765, 4-bromo-2,1,3-benzothiadiazole, AldrichCPR, EN300-49445, I11156, Z367452128

4-Bromo-2,1,3-benzothiadiazole is primarily employed as a precursor in the synthesis of organic electronic materials, including light-emitting diodes (OLEDs) and photovoltaic devices. Its bromine substituent facilitates cross-coupling reactions such as Suzuki or Stille couplings, enabling the construction of π-conjugated systems. Researchers also utilize it in medicinal chemistry to develop novel heterocyclic scaffolds with potential biological activity. Additionally, it finds use in the preparation of fluorescent dyes and sensors due to its electron-deficient benzothiadiazole core.

Safety and Hazards

GHS Hazard Statements

• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): 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 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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