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CAS Number: 405165-13-1
4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole

Structure

4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole
Name: 4,7-bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole
Synonyms:
General Information
Product Number: 405165131

CAS Registry Number 288071-87-4
Name:
2,​1,​3-​Benzothiadiazole, 4,​7-​bis(5-​bromo-​2-​thienyl)​-
4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole
4,7-Bis(5-bromo-2-thienyl)-2,1,3-benzothiadiazole
4,7-Bis(5-bromo-thiophen-2-yl)benzo[c][1,2,5]thiadiazole
4,7-Bis(5-bromothiophen-2-yl)benzo-2,1,3-thiadiazole
4,7-Di(2-bromothien-5-yl)-2,1,3-benzothiadiazole

 

Chemical Formula: C14H6Br2N2S3
Exact Mass: 455.81
Molecular Weight: 458.21
m/z: 457.80 (100.0%), 459.80 (58.6%), 455.81 (48.0%), 458.81 (15.2%), 456.81 (8.5%), 461.80 (7.1%), 460.81 (7.0%), 460.80 (3.7%), 458.80 (3.1%), 459.81 (1.4%), 462.80 (1.1%)

 

InChI:InChI=1S/C30H40N2S3/c1-3-5-7-9-11-13-15-23-19-27(33-21-23)25-17-18-26(30-29(25)31-35-32-30)28-20-24(22-34-28)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3

InChI Key:DOHOHOKWNWTQLM-UHFFFAOYSA-N

Canonical SMILES:CCCCCCCCC1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=CS4)CCCCCCCC

 

Thermal Properties Value Condition Note
Melting Point 256-258 °C Solv: chloroform (67-66-3) (6)CAS
Melting Point 251-252 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (11)CAS
Melting Point 251-252 °C Solv: N,N-dimethylformamide (68-12-2) (13)CAS
Melting Point See full text   (7)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (2) Shin, Woong; Kongop Hwahak 2010, V21(2), P137-141 CAPLUS
  2. (6) Kato, Shin-ichiro; Chemical Communications (Cambridge, United Kingdom) 2004, (20), P2342-2343 CAPLUS
  3. (7) Shin, Woong; Synthetic Metals 2012, V162(9-10), P768-774 CAPLUS
  4. (11) Kim, Jinwoo; Polymer 2010, V51(2), P390-396 CAPLUS
  5. (13) Shi, Chenjun; Macromolecular Chemistry and Physics 2005, V206(11), P1114-1125 CAPLUS
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