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
Canonical 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.
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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