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CAS Number: 566939-58-0
1,3-dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione

Structure

1,3-dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Name: 1,3-dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Synonyms:
General Information
Product Number: 566939580

CAS Registry Number 566939-58-0
Name:
4H-​Thieno[3,​4-​c]​pyrrole-​4,​6(5H)​-​dione, 1,​3-​dibromo-​5-​octyl-
1,3-Dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
1,3-Dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6-(5H)-dione
1,3-Dibromo-5-octylthieno[3,4-c]pyrrole-4,6-dione

 

Chemical Formula: C14H17Br2NO2S
Exact Mass: 420.93
Molecular Weight: 423.16
m/z: 422.93 (100.0%), 424.93 (52.0%), 420.93 (50.2%), 423.94 (15.1%), 425.93 (8.5%), 421.94 (7.7%), 426.93 (2.5%), 424.94 (1.6%), 423.93 (1.5%)

 

InChI:InChI=1S/C14H17Br2NO2S/c1-2-3-4-5-6-7-8-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h2-8H2,1H3

InChI Key:GSGMEQUXTCYOAU-UHFFFAOYSA-N

Canonical SMILES:CCCCCCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br

 

Thermal Properties Value Condition Note
Melting Point 104-105 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)CAS
Melting Point 104 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (3)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Nielsen, Christian B.; Organic Letters 2004, V6(19), P3381-3384 CAPLUS
  2. (2) Piliego, Claudia; Journal of the American Chemical Society 2010, V132(22), P7595-7597 CAPLUS
  3. (3) Zou, Yingping; Journal of the American Chemical Society 2010, V132(15), P5330-5331 CAPLUS
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