5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
C14H4N2O2S2
Consulting for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Our experts support you with application, dosage, and compliance.
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 featuring benzodithiine structure with dicarbonitrile and dioxo functional groups. This specialized chemical compound belongs to the benzodithiine family, characterized by its fused ring system incorporating sulfur atoms and multiple functional groups. The molecule's structure includes two nitrile groups (-CN) and two carbonyl groups (C=O), which contribute to its unique chemical properties and reactivity profile. With a molecular formula of C14H4N2O2S2 and molecular weight of 296.3 g/mol, this compound represents an important intermediate in various synthetic pathways. The compound exhibits significant safety considerations, classified under Acute Toxicity Category 4 and aquatic toxicity categories, requiring appropriate handling protocols and environmental protection measures. The GHS07 and GHS09 pictograms indicate potential health hazards and environmental dangers, necessitating professional handling in controlled environments. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. Primary industrial applications include use as a synthetic intermediate in pharmaceutical research, specialty polymer production, and advanced materials development. The compound's unique electronic properties, derived from its extended conjugated system and heteroatoms, make it valuable in developing organic semiconductors and electronic materials. Unlike simpler heterocyclic compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this benzodithiine derivative offers enhanced stability and specific reactivity patterns suitable for complex synthetic transformations. OYSI provides this specialized compound to European industrial customers, ensuring proper documentation and regulatory compliance for professional applications requiring high-purity heterocyclic intermediates.
Safety & Classification
Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Dithianon (ISO) |
| Marine Pollutant | No |
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 compound with the molecular formula C14H4N2O2S2 and CAS number 3347-22-6. This benzodithiine derivative has a molecular weight of 296.3 g/mol and features a complex polycyclic structure containing sulfur atoms, nitrile groups, and ketone functionalities. It is classified as a hazardous substance requiring proper handling precautions due to its toxicity and environmental impact potential.
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 organic compound with a molecular weight of 296.3 g/mol. The compound contains multiple aromatic rings with sulfur heteroatoms, two nitrile groups, and ketone functionalities, which influence its chemical behavior. Due to its complex aromatic structure and polar functional groups, it likely exhibits limited water solubility but may dissolve in organic solvents. Specific physical data should be verified from technical datasheets.
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 a chemical intermediate in organic synthesis and pharmaceutical research. Its unique benzodithiine structure makes it valuable for developing specialized compounds in materials science and medicinal chemistry. The compound may serve as a building block for synthesizing more complex molecules or as a research tool in academic and industrial laboratories studying sulfur-containing heterocyclic systems.
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 and Warning signal word. Wear appropriate personal protective equipment including gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure proper hygiene measures. Follow all safety data sheet recommendations and maintain emergency procedures readily available during handling operations.
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 incompatible materials. Keep containers tightly closed and properly labeled with hazard warnings. Store separately from oxidizing agents, bases, and reactive chemicals. Ensure storage areas have appropriate containment measures for spill control and maintain inventory records. Regular inspection of containers for damage or deterioration is recommended to prevent accidental releases.
What to do in case of contact with 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile?
Immediate action is required in case of contact with 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if symptoms develop or persist. Never induce vomiting if ingested and consult poison control or medical professionals immediately.
How to dispose of 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile properly?
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile must be disposed of as hazardous waste due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste disposal companies specializing in hazardous chemical waste. Never dispose of through regular waste streams or pour down drains. Follow local and national environmental regulations for hazardous waste management. Ensure proper documentation and tracking of waste disposal activities for regulatory compliance.
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 transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use approved packaging materials and ensure proper hazard labels are affixed. Transport personnel must be trained in dangerous goods handling, and vehicles should carry appropriate emergency equipment and documentation as required by ADR regulations.
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 European chemical regulations including REACH and CLP classifications. It displays GHS07 and GHS09 pictograms indicating health and environmental hazards. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, proper labeling, and hazard communication standards. Registration or authorization may be required depending on quantities imported or manufactured within the EU.
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 trusted European distributor of specialty chemicals. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical distributor, OYSI ensures reliable supply chains and technical support for industrial and research applications. Contact OYSI directly to discuss specific requirements, quantities, and delivery options for your projects.
Services for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Order 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Technical Consulting
Application advice for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.