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CAS Number: 1192352-10-5
4,7-bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole

Structure

4,7-bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole
Name: 4,7-bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole
Synonyms:
General Information
Product Number: 1192352105

CAS Registry Number 1192352-10-5
Name:
2,​1,​3-​Benzothiadiazole, 4,​7-​bis(5-​bromo-​2-​thienyl)​-​5,​6-​bis(octyloxy)​-
(5,6-Bis(octyloxy)-4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole)-5,5-diyl
4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole

 

Chemical Formula: C30H38Br2N2O2S3
Exact Mass: 712.05
Molecular Weight: 714.64
m/z: 714.04 (100.0%), 716.04 (58.8%), 712.05 (48.0%), 715.05 (33.1%), 713.05 (17.0%), 717.05 (15.9%), 718.04 (7.4%), 716.05 (6.4%), 717.04 (6.0%), 718.05 (3.3%), 714.05 (3.2%), 715.04 (3.1%), 719.04 (2.4%)

 

InChI:InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

InChI Key:QNBPEQCRDXBBCR-UHFFFAOYSA-N

Canonical SMILES:CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br

 

Thermal Properties Value Condition Note
Melting Point 74-76 °C   (3)CAS

Specification

98%

References
  1. (3) Zeng, Shaohang; Chemical Communications (Cambridge, United Kingdom) 2012, V48(86), P10627-10629 CAPLUS
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