4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole

4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole structure
CAS Number288071-87-4
EC/List No.683-683-3
Molecular FormulaC14H6Br2N2S3
Molecular Weight458.20 g/mol
Melting Point245-249 °C
SMILESBrc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1
InChIKeyZIIMIGRZSUYQGW-UHFFFAOYSA-N
Description4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole, a benzothiadiazole with two bromothienyl groups. Important monomer for narrow-bandgap polymer solar cells and OLED materials.
ApplicationsOLED intermediate; polymer solar cell; Stille coupling substrate
Hazard ClassSkin Irrit. 2; Eye Irrit. 2; STOT SE 3 (Resp)
Hazard StatementsH315; H319; H335
Precautionary StatementsP261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point527.3 °C (predicted)
Estimated Density1.898 g/cm³ (predicted)