1H-Benzo[de]isoquinoline-1,3(2H)-dione

Basic Information

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CAS Number

81-83-4

Molecular Formula

C12H7NO2

Molecular Weight

197.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

299-300 °C

Boiling Point

334.29°C (rough estimate)

Density

1.2292 (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

208.9 ºC

Refractive Index

1.4500 (estimate)

SMILES

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O=C1NC(=O)c2cccc3cccc1c23

InChI

InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)

InChIKey

XJHABGPPCLHLLV-UHFFFAOYSA-N

LogP

1.7234

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

285

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1,8-Naphthalimide
naphthalene-1,8-dicarboximide
1,8-NAPHTHALENEDICARBOXIMIDE
1,8-Naphthalenediformylimine
1,8-NAPHTHALIC ACID AMIDE
1H-Benz[de]isoquinoline-1,3
1H-Benz[de]isoquinoline-1,3(2H)-dione
1H-benzo[de]isoquinoline-1,3(2H)-dione
benzo[de]isoquinoline-1,3-dione
Naphthalene-1,8-dicarbimide
Naphthalic acid imide
NAPHTHALIMIDE
GI0TV19GBN
XJHABGPPCLHLLV-UHFFFAOYSA-N
1H-Benz(de)isoquinoline-1,3(2H)-dione
3ess
1,8 naphthalimide
1.8-naphthalimide
Naphthalimide (8CI)
DSSTox_RID_80428
DSSTox_CID_24731
Oprea1_308401
D
1,8-Naphthalenedicarboximide
1H-benz[de]isoquinoline-1,3(2H)-dione

MDL Number

MFCD00006920

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Benzo[de]isoquinoline-1,3(2H)-dione (CAS: 81-83-4)?

1H-Benzo[de]isoquinoline-1,3(2H)-dione is a crystalline solid with a molecular weight of 194.17 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and methanol. The compound shows good stability in acidic and basic conditions but is reactive towards strong bases. It is used in various synthetic routes due to its structural complexity and bioactivity.

How is 1H-Benzo[de]isoquinoline-1,3(2H)-dione (CAS: 81-83-4) typically synthesized?

1H-Benzo[de]isoquinoline-1,3(2H)-dione is usually synthesized via the oxidative cleavage of 2,3-dihydro-1H-benzo[de]isoquinoline or by the condensation of 1,3-diketone with 1H-benzo[de]isoquinoline. The synthesis often involves the use of reagents like p-toluenesulfonic acid or potassium permanganate, with yields typically ranging from 50% to 70%. The method is selective and efficient.

What industries use 1H-Benzo[de]isoquinoline-1,3(2H)-dione (CAS: 81-83-4)?

1H-Benzo[de]isoquinoline-1,3(2H)-dione is widely used in the pharmaceutical industry due to its bioactivity, particularly in the development of anti-inflammatory and antitumor agents. It is also employed in the polymer industry for its potential to enhance material properties and in the semiconductor industry for its use in organic electronics.

What precautions should be taken when handling 1H-Benzo[de]isoquinoline-1,3(2H)-dione (CAS: 81-83-4)?

When handling 1H-Benzo[de]isoquinoline-1,3(2H)-dione, it is advisable to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. In case of spill, immediately clean up using absorbent material and consult the Safety Data Sheet (SDS) for further instructions. Storage should be in a cool, dry place away from direct sunlight and incompatible materials.