4,9-Dibromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone
Product Information
Molecular Formula
C14H2Br2O6
Molecular Weight
425.97
Description
4,9-Dibromoisochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone (CAS# 83204-68-6) is a useful research chemical.
Synonyms
2,9-dibromo-6,13-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone; 2,9-dibromo-6,13-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
IUPAC Name
2,9-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILES
C1=C2C3=C4C(=CC(=C3C(=O)OC2=O)Br)C(=O)OC(=O)C4=C1Br
InChI
InChI=1S/C14H2Br2O6/c15-5-1-3-7-8-4(12(18)22-13(19)9(5)8)2-6(16)10(7)14(20)21-11(3)17/h1-2H
InChI Key
FEDCHNPLDKDTNS-UHFFFAOYSA-N
Melting Point
350 °C
Purity
> 98.0 % (T) (HPLC)
Appearance
Light yellow to amber to dark green powder to crystaline
LogP
2.98600
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
XLogP3
3.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
425.81976 g/mol
Monoisotopic Mass
423.82181 g/mol
Topological Polar Surface Area
86.7Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
552
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2020229840-A1 | Substituted naphthalene diimides and their use | 2019-05-16 |
| WO-2020060937-A1 | Narrow absorption polymer nanoparticles and related methods | 2018-09-18 |
| CN-106588923-A | Perfluoroalkyl group modified solution-processable naphthalimide and preparation method thereof | 2016-11-23 |
| US-10655060-B2 | Preparation method and application of fluorescent compound having sensing ability to aniline and o-toluidine gas, and fluorescent film with the same | 2016-05-23 |
| WO-2017103587-A1 | Substituted naphthalene diimides and their use | 2015-12-15 |
| WO-2016187326-A1 | Thermoelectric polymer composites | 2015-05-18 |
| US-2018123050-A1 | N and p active materials for organic photoelectric conversion layers in organic photodiodes | 2015-03-31 |
| US-2018033985-A1 | An Electron Transport Layer Material and the Application Thereof | 2015-03-06 |
| US-2016260903-A1 | Conjugated polymer zwitterions and solar cells comprising conjugated polymer zwitterions | 2015-03-04 |
| US-2016175292-A1 | Antioxidants Having Aromatic Structures Reacting with Superoxide | 2014-12-22 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20571570 | 2010-07-01 | Experimental evidence for the functional relevance of anion-pi interactions | Nature chemistry |
