4-Nitro-1,8-naphthalic anhydride

Inquiry

Molecular Formula:

C12H5NO5

Molecular Weight:

243.17

CAS Number:

6642-29-1

Catalog Number:

6642-29-1

Product Information

Molecular Formula:

C12H5NO5

Molecular Weight:

243.17

Description

4-Nitro-1,8-naphthalic anhydride is a pivotal substrate for synthesizing diverse pharmaceuticals and dyes. Its chemical intricacy renders it indispensable in combating select bacterial infections, respiratory ailments, as well as cancer.

Synonyms

1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-nitro-; 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; Naphthalic anhydride, 4-nitro-; 4-Nitro-1,8-naphthalimide anhydride; 4-Nitro-N-(3-hydroxyphenyl)-1,8-naphthalimide; 4-Nitronaphthalene-1,8-dicarboxylic anhydride; 4-Nitronaphthalic anhydride; 5-Nitronaphthalic anhydride; NSC 15356

IUPAC Name

8-nitro-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)[N+](=O)[O-]

InChI

InChI=1S/C12H5NO5/c14-11-7-3-1-2-6-9(13(16)17)5-4-8(10(6)7)12(15)18-11/h1-5H

InChI Key

LKOZHLXUWUBRDK-UHFFFAOYSA-N

Boiling Point

509.9±33.0°C at 760 mmHg

Melting Point

220°C

Flash Point

Not applicable

Purity

95%

Density

1.637±0.06 g/cm3

Appearance

Dark Yellow Powder

Storage

Store at RT under inert atmosphere

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

243.01677226 g/mol

Monoisotopic Mass

243.01677226 g/mol

Topological Polar Surface Area

89.2Å²

Heavy Atom Count

Formal Charge

Complexity

415

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-113354584-A	Naphthalimide fluorescent probe for distinguishing Cys, Hcy and GSH, and preparation method and application thereof	2021-06-15
CN-112961458-A	Tung oil based epoxy flexibilizer and preparation method thereof	2021-01-26
CN-112142759-A	Plastic colorant fluorescein 3G and preparation method thereof	2020-09-11
CN-113495443-A	Fluorescent white toner and related methods	2020-03-18
CN-113495445-A	Fluorescent metallic color toners and related methods	2020-03-18
EP-3882702-A1	Fluorescent white toners and related methods	2020-03-18
EP-3882703-A1	Fluorescent metallic toners and related methods	2020-03-18
JP-2021149098-A	Fluorescent white toner and related methods	2020-03-18
JP-2021149099-A	Fluorescent metallic toner and related methods	2020-03-18
US-2021294231-A1	Fluorescent white toners and related methods	2020-03-18

Literatures

PMID	Publication Date	Title	Journal
22970425	2012-11-07	A colorimetric and fluorescent dual probe for specific detection of cysteine based on intramolecular nucleophilic aromatic substitution	The Analyst
22467365	2012-04-01	Biotransformation of nitro-polycyclic aromatic compounds by vegetable and fruit cell extracts	Journal of Zhejiang University. Science. B
17070119	2007-03-01	Assessment of 4-nitro-1,8-naphthalic anhydride reductase activity in homogenates of bakers' yeast by reversed-phase high-performance liquid chromatography	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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