Propanedinitrile
C3H2N2
propanedinitrile
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Identification
- CAS Number
- 109-77-3
- EC Number
- 203-703-2
- UN Number
- 2647
- Index Number
- 608-009-00-7
- PubChem CID
- 8010
Physical-chemical properties
- Molecular Formula
- C3H2N2
- Molar Mass
- 66.06 g/mol
- IUPAC Name
- propanedinitrile
Chemical Identifiers
- InChI
- InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
- InChI Key
- CUONGYYJJVDODC-UHFFFAOYSA-N
Overview
Propanedinitrile (CAS 109-77-3) is an organic dinitrile compound with high toxicity and significant industrial applications as a chemical intermediate. Propanedinitrile, also known as malononitrile, is a versatile chemical building block characterized by its two nitrile functional groups attached to a central carbon atom. This colorless to pale yellow crystalline solid exhibits remarkable reactivity due to the activated methylene group between the two electron-withdrawing cyano groups, making it an invaluable synthetic intermediate in organic chemistry. The compound's molecular structure C3H2N2 provides unique chemical properties that enable diverse transformation reactions, particularly in pharmaceutical and agrochemical synthesis. The substance presents significant safety considerations, classified with GHS06 and GHS09 pictograms indicating acute toxicity and environmental hazards. Its Acute Tox. 3 classification across multiple exposure routes requires careful handling protocols and appropriate personal protective equipment. The compound also poses environmental risks with Aquatic Acute 1 and Aquatic Chronic 1 classifications, necessitating controlled disposal and environmental protection measures. Transportation falls under ADR class 6.1, requiring specialized logistics protocols for safe distribution. In industrial applications, propanedinitrile serves primarily as a key intermediate in pharmaceutical synthesis, enabling the production of various therapeutic compounds through cyclization and condensation reactions. The agrochemical industry utilizes this compound for synthesizing pesticides and herbicides, where its reactive nature facilitates the formation of heterocyclic structures. Additionally, it finds applications in specialty chemical manufacturing, including dye intermediates and polymer additives. While structurally different from compounds like 2-cyclohexyl-4,6-dinitrophenol used in pesticide formulations, propanedinitrile shares similar industrial relevance in agrochemical synthesis pathways. OYSI provides propanedinitrile to European industrial customers with comprehensive technical support and regulatory documentation to ensure compliant and efficient chemical procurement.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | 2647 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Malononitril, flüssig* |
| Marine Pollutant | No |
Frequently Asked Questions
What is propanedinitrile?
Propanedinitrile is an organic chemical compound with the molecular formula C3H2N2 and CAS number 109-77-3. It belongs to the nitrile family and has a molecular weight of 66.06 g/mol. This compound is classified as highly toxic with acute toxicity category 3 for multiple exposure routes and poses significant environmental hazards to aquatic life. It requires careful handling due to its dangerous properties and is regulated under various safety classifications including GHS pictograms for toxicity and environmental hazards.
What are the physicochemical properties of propanedinitrile?
Propanedinitrile is a chemical compound with the molecular formula C3H2N2 and a molecular weight of 66.06 g/mol. As a dinitrile compound, it typically exists as a solid or liquid at room temperature depending on purity and conditions. The compound contains two nitrile functional groups (-CN) attached to a propane backbone, giving it distinct chemical reactivity. Its specific physical properties such as melting point, boiling point, and solubility characteristics make it suitable for various industrial applications while requiring appropriate safety measures.
What is propanedinitrile used for?
Propanedinitrile serves as an important intermediate in organic synthesis and chemical manufacturing processes. It is commonly used in the production of pharmaceuticals, agrochemicals, and specialty chemicals due to its reactive nitrile groups. The compound acts as a building block for synthesizing various nitrogen-containing compounds and can be utilized in polymerization reactions. Its applications span across industries including pharmaceutical manufacturing, chemical synthesis, and materials science, where its unique chemical structure provides valuable reactivity for creating complex molecular structures.
How to handle propanedinitrile safely?
Propanedinitrile requires strict safety protocols due to its Acute Tox. 3 classification and 'Danger' signal word. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid skin contact, inhalation, and ingestion as the compound poses serious health risks through multiple exposure routes. Work should be conducted in fume hoods or controlled environments with emergency equipment readily available. Regular safety training and adherence to established handling procedures are essential for safe operations.
How to store propanedinitrile correctly?
Propanedinitrile must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The storage area should be equipped with appropriate containment systems and maintained at stable temperatures to prevent degradation. Containers must be tightly sealed and properly labeled according to GHS requirements, displaying the appropriate pictograms (GHS06, GHS09). Access should be restricted to trained personnel only, and storage areas must comply with local regulations for toxic substances and environmental protection measures.
What to do in case of contact with propanedinitrile?
Immediate action is required for any contact with propanedinitrile due to its high toxicity. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. If inhaled, move the person to fresh air immediately and seek medical attention. For eye contact, flush with clean water for at least 15 minutes. In all cases of exposure, seek immediate medical attention and provide the safety data sheet to medical personnel. Do not induce vomiting if ingested.
How to dispose of propanedinitrile appropriately?
Propanedinitrile disposal must comply with local, national, and international waste regulations due to its toxic and environmental hazard classifications. The compound cannot be disposed of through regular waste streams and requires specialized hazardous waste treatment. Contact licensed waste disposal companies experienced in handling toxic chemicals with environmental hazard properties. Waste containers must be properly labeled and documented according to waste tracking requirements. Never discharge into sewers, waterways, or soil due to its aquatic toxicity classification.
How to transport propanedinitrile?
Propanedinitrile is classified under ADR Class 6.1 (toxic substances) with Packing Group II, indicating moderate to high toxicity requiring specific transport protocols. Packages must bear appropriate hazard labels and comply with dangerous goods regulations for road transport. Only certified carriers experienced in handling toxic chemicals should transport this substance. Proper documentation including transport documents and emergency response information must accompany shipments. Vehicles must be equipped with appropriate safety equipment and drivers must have proper dangerous goods training certification.
Is propanedinitrile subject to specific regulations?
Propanedinitrile is subject to comprehensive chemical regulations including REACH registration requirements in Europe and CLP classification for hazard communication. While not currently listed as a SVHC (Substance of Very High Concern), its Acute Tox. 3 classification and environmental hazard properties mean it falls under strict regulatory oversight. Companies must comply with notification requirements, safety data sheet provisions, and workplace exposure limits. Transport regulations under ADR Class 6.1 also apply, along with waste management regulations for proper disposal.
Where to buy propanedinitrile in Europe?
Propanedinitrile is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. OYSI provides this regulated chemical compound to qualified buyers with proper handling capabilities and regulatory compliance. Due to its toxic classification and regulatory requirements, purchases typically require verification of appropriate safety measures and intended use documentation. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for propanedinitrile procurement in European markets.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.