5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile

C14H4N2O2S2

CAS3347-22-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
3347-22-6
EC Number
222-098-6
UN Number
3077
Index Number
613-021-00-0
PubChem CID
18771

Physical-chemical properties

Molecular Formula
C14H4N2O2S2
Molar Mass
296.30 g/mol
IUPAC Name
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile

Chemical Identifiers

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
InChI Key
PYZSVQVRHDXQSL-UHFFFAOYSA-N

Overview

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile (CAS 3347-22-6) is a heterocyclic organic compound with distinctive benzodithiine ring structure and dicarbonitrile functional groups. This specialized chemical compound belongs to the benzodithiine family, characterized by its fused ring system containing sulfur atoms and quinone-like structure. The molecular formula C14H4N2O2S2 reflects its complex aromatic framework with integrated nitrile groups, contributing to its unique chemical properties and reactivity profile. With a molecular weight of 296.3 g/mol, this compound exhibits moderate molecular complexity suitable for various technical applications. From a safety perspective, 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile requires careful handling protocols. Classified under GHS pictograms GHS07 and GHS09 with "Warning" signal word, it presents acute toxicity concerns (Category 4) and significant environmental hazards as both acute and chronic aquatic pollutant. The ADR Class 9 classification indicates miscellaneous dangerous goods requiring appropriate transport precautions. Personnel handling this material should implement proper ventilation systems, use appropriate personal protective equipment, and follow established safety protocols to minimize exposure risks. Industrial applications typically include use as an intermediate in organic synthesis, particularly in the development of advanced materials and specialty chemicals. The compound's unique electronic properties make it valuable in materials science applications, while its structural characteristics position it within similar chemical families as compounds like 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, which also serves specialized industrial synthesis roles. Research and development sectors frequently utilize this compound for creating novel organic materials with specific electronic or optical properties. OYSI maintains reliable supply chains for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameDithianon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is an organic chemical compound with the molecular formula C14H4N2O2S2 and CAS number 3347-22-6. This substance features a complex aromatic structure containing sulfur atoms, nitrile groups, and ketone functionalities. With a molecular weight of 296.3 g/mol, it belongs to the benzodithiine family of compounds and is classified as hazardous with acute toxicity and aquatic toxicity properties.

What are the physicochemical properties of 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is a solid compound at room temperature with a molecular weight of 296.3 g/mol. The molecule contains aromatic rings with sulfur heteroatoms, two carbonyl groups, and two nitrile functionalities. Due to its extended conjugated system and polar functional groups, it likely exhibits limited solubility in water but may dissolve in organic solvents. The compound's stability and exact physical appearance depend on purity and storage conditions.

What is 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile used for?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its unique benzodithiine structure makes it valuable for developing new chemical compounds and studying sulfur-containing heterocyclic systems. The compound may also serve as a building block in materials science applications, particularly in the synthesis of specialized polymers or electronic materials. Its specific applications depend on the requirements of research and industrial synthesis projects.

How to handle 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile safely?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including safety goggles, protective gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke while handling this substance. Wash hands thoroughly after use and ensure proper training before manipulation.

How to store 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile correctly?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers and bases. Ensure storage areas comply with local regulations for hazardous substances and maintain proper labeling with GHS pictograms GHS07 and GHS09. Regular inspection of containers is recommended to detect any deterioration.

What to do in case of contact with 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile?

In case of skin contact with 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, rinse mouth and seek medical attention. Never induce vomiting unless specifically instructed by medical professionals. Always seek medical advice if symptoms persist.

How to dispose of 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile appropriately?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile must be disposed of as hazardous waste due to its toxicity and environmental impact classifications. Contact licensed waste disposal companies specialized in chemical waste management. Never discharge into sewers, waterways, or regular waste streams due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national regulations for hazardous waste disposal, including proper labeling and documentation. Small laboratory quantities may require special collection procedures.

How to transport 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to ADR regulations. Use approved containers and ensure proper hazard labels are applied. Transport vehicles must comply with ADR requirements for Class 9 substances. Drivers require appropriate training and certification. Always consult current ADR regulations and work with qualified logistics providers for safe transportation.

Is 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile subject to specific regulations?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is subject to EU CLP regulation with Warning signal word and requires GHS07 and GHS09 pictograms. It is not currently listed as a Substance of Very High Concern (SVHC) under REACH regulation. However, its acute toxicity and aquatic toxicity classifications require compliance with chemical safety regulations, proper risk assessments, and safety data sheet provisions. Users must follow occupational health and safety guidelines and environmental protection requirements in their respective jurisdictions.

Where to buy 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile in Europe?

5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and industrial customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, packaging, and documentation compliance with European regulations. Contact OYSI directly for availability, technical specifications, and pricing information to meet your specific research or industrial requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.