4-Bromo-1,8-naphthalic Anhydride
Product Information
Molecular Formula
C12H5BrO3
Molecular Weight
277.07
Description
4-Bromo-1,8-naphthalic Anhydride (CAS# 81-86-7) is a reactant in the preparation of diethers with antiviral activity against group A and B human Rhinoviruses.
Synonyms
8-bromo-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione; 8-bromo-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
IUPAC Name
8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br
InChI
InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H
InChI Key
DTUOTSLAFJCQHN-UHFFFAOYSA-N
Boiling Point
467.2 °C at 760 mmHg
Melting Point
217-219 °C (lit.)
Purity
95 %
Density
1.812 g/cm3
LogP
2.91290
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
3.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
275.94221 g/mol
Monoisotopic Mass
275.94221 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
341
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 |
|---|---|---|
| CN-114105874-A | Acrolein fluorescent probe and preparation method and application thereof | 2021-12-16 |
| CN-114105982-A | Near-infrared dye based on naphthalimide, preparation and application thereof | 2021-12-16 |
| CN-114149369-A | Fluorescent probe FAL1 for formaldehyde and pH dual-function detection and preparation method and application thereof | 2021-12-14 |
| CN-114181148-A | 'on-off' type fluorescent probe, preparation method and application thereof | 2021-12-09 |
| CN-114106351-A | Ratiometric supermolecule self-assembly fluorescent probe and preparation method and application thereof | 2021-11-23 |
| CN-113979998-A | Aluminum ion detection fluorescent probe based on 1, 8-naphthalimide as matrix and preparation method and application thereof | 2021-11-19 |
| CN-113980007-A | Zinc ion detection fluorescent probe NFP and preparation method and application thereof | 2021-11-19 |
| CN-113845516-A | Hypochlorous acid fluorescent probe based on Schiff base and preparation method thereof | 2021-11-08 |
| CN-113861112-A | Reactive hypochlorous acid fluorescent probe based on naphthalimide and preparation method thereof | 2021-11-08 |
| CN-113861175-A | Hg based on naphthalimide2+Fluorescent probe and preparation method thereof | 2021-11-08 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21932803 | 2011-10-21 | OFF-ON-OFF fluorescence switch with T-latch function | Organic letters |
| 20543498 | 2010-01-01 | Determination of water content in organic solvents by naphthalimide derivative fluorescent probe | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
