4-Bromo-1,8-naphthalic Anhydride

Inquiry

Molecular Formula:

C12H5BrO3

Molecular Weight:

277.07

CAS Number:

81-86-7

Catalog Number:

81-86-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

275.94221 g/mol

Monoisotopic Mass

275.94221 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

341

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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