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CAS Number: 1088205-02-0
11,13-dibromo-3,8-bis(2-ethylhexyl)-1,5-(epiethane[1,2]diylidene)-6,10-ethenoazepino[4,5-d]azepine-2,4,7,9(3H,8H)-tetraone

Structure

11,13-dibromo-3,8-bis(2-ethylhexyl)-1,5-(epiethane[1,2]diylidene)-6,10-ethenoazepino[4,5-d]azepine-2,4,7,9(3H,8H)-tetraone
Name: 11,13-dibromo-3,8-bis(2-ethylhexyl)-1,5-(epiethane[1,2]diylidene)-6,10-ethenoazepino[4,5-d]azepine-2,4,7,9(3H,8H)-tetraone
Synonyms:
General Information
Product Number: 1088205020

CAS Registry Number 1088205-02-0
Name:
Benzo[lmn]​[3,​8]​phenanthroline-​1,​3,​6,​8(2H,​7H)​-​tetrone, 4,​9-​dibromo-​2,​7-​bis(2-​ethylhexyl)​-
N,N'-Bis(2-ethylhexyl)-2,6-dibromo-1,4,5,8-naphthalenetetracarboxylic diimide
N,N'-Bis(2-ethylhexyl)-2,6-dibromonaphthalene-1,4,5,8-bis(dicarboximide)
N,N'-Bis(2-ethylhexyl)-2,6-dibromonaphthalene-1,4,5,8-tetracarboxylic acid diimide
N,N'-Di(2-ethylhexyl)-2,6-dibromo-1,4,5,8-napthalenediimide

 

Chemical Formula: C30H36Br2N2O4
Exact Mass: 646.10
Molecular Weight: 648.43
m/z: 648.10 (100.0%), 646.10 (51.3%), 650.10 (48.8%), 649.11 (33.4%), 647.11 (16.9%), 651.10 (16.2%), 650.11 (6.1%), 648.11 (3.1%), 652.11 (2.6%), 651.11 (1.0%)

 

InChI:InChI=1S/C30H36Br2N2O4/c1-5-9-11-17(7-3)15-33-27(35)19-13-22(32)26-24-20(14-21(31)25(23(19)24)29(33)37)28(36)34(30(26)38)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3

InChI Key:IMWDVKCSASRBSW-UHFFFAOYSA-N

Canonical SMILES:CCCCC(CC)CN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CC(CC)CCCC)Br)C1=O)Br

 

Thermal Properties Value Condition Note
Melting Point 245.2-248.6 °C   (1)CAS

Specification

98%

References
  1. (1) Guo, Song; Dyes and Pigments 2013, V96(2), P449-458 CAPLUS
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