5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile

Basic Information

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CAS Number

3347-22-6

Molecular Formula

C14H4N2O2S2

Molecular Weight

296.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

217-225°C

Boiling Point

402.1 °C at 760 mmHg

Flash Point

197 °C

Refractive Index

1.6360 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N

InChI

InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H

InChIKey

PYZSVQVRHDXQSL-UHFFFAOYSA-N

LogP

log Kow = 2.84

Complexity

629

Safety Information

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GHS Hazard Pictograms

H302

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 orally in rats, guinea pigs: 638, 110 mg/kg (Amadori, Heupt)

Synonyms & References

English

NSC218452
5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin-2,3-dicarbonitrile
MV-119A
CADOL
KS-5359
Dithianon, PESTANAL(R), analytical standard
IT 931
5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile
NS00008842
Delan-col
NSC 218452
1, 4-Dithiaanthraquinone-2,3-dinitrile
MFCD00055492
Caswell No. 349B
A875282
Naphtho[2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Delan
DITHIANON [HSDB]
Delan (fungicide)
2,3-Dicyano-1, 4-dithiaanthraquinone
5,10-Dihydro-5,10-dioxonaphtho(2,3-b)-p-dithiin-2,3-dicarbonitrile
1,4-Dithiaanthraquinone-2,3-dicarbonitrile
Naphtho(2,3-b)-1,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
2,3-Dinitrilo-1,4-dithia-9,10-anthraquinone
Stauffer MV-119A
1,3-dinitrile
SCHEMBL20978
Naphtho[2,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
HSDB 1583
2,3-Dinitrilo-1,4-dithioanthrachinon [German]

MDL Number

MFCD00055492

FAQ

What regulatory guidelines apply to 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile (CAS: 3347-22-6)?

This compound must comply with GHS classification for hazardous chemicals. In Europe, it falls under REACH regulations requiring registration and evaluation of substances. For FDA and EPA, it may be subject to specific testing and reporting requirements based on its intended use and potential health and environmental impacts. Always consult the latest regulatory guidelines for specific requirements.

Are there alternatives to 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile (CAS: 3347-22-6) in synthesis?

Common alternatives include other dithiine derivatives and nitriles. Analogues such as 5,10-dithiophen-2,3-dicarbonitrile and similar structures may serve as viable substitutes. The choice of alternative reagents depends on the specific application and desired properties.

What is the market or research trend for 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile (CAS: 3347-22-6)?

Research interest in this compound is growing, particularly in its potential applications in pharmaceuticals and materials science. Market trends suggest increasing demand in specialized industries, driven by its unique chemical properties. However, the high reactivity and toxicity of the compound pose challenges for widespread application.

How should waste containing 5,10-Dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile (CAS: 3347-22-6) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately. It should be disposed of through professional waste disposal services that comply with regulatory requirements. Care should be taken to prevent environmental contamination, and specific disposal methods should be determined based on local regulations and the nature of the waste.