2-piperidin-1-ylbenzonitrile
C12H14N2
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Identification
- CAS Number
- 72752-52-4
- EC Number
- 427-330-1
- UN Number
- 3077
- Index Number
- 608-047-00-4
- PubChem CID
- 2774355
Physical-chemical properties
- Molecular Formula
- C12H14N2
- Molar Mass
- 186.25 g/mol
- IUPAC Name
- 2-piperidin-1-ylbenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
- InChI Key
- MEBVSLLKZSAIGK-UHFFFAOYSA-N
Overview
2-piperidin-1-ylbenzonitrile (CAS 72752-52-4) is an aromatic nitrile compound with piperidine functionality featuring distinctive heterocyclic properties for specialized industrial applications. This organic compound represents a sophisticated chemical structure combining a benzonitrile core with a piperidine ring system, creating unique molecular characteristics that make it valuable in various industrial processes. With a molecular formula of C12H14N2 and a molecular weight of 186.25 g/mol, 2-piperidin-1-ylbenzonitrile exhibits the typical properties associated with aromatic nitriles while benefiting from the enhanced solubility and reactivity imparted by its piperidine substituent. The compound's chemical structure positions it within the broader family of substituted benzonitriles, which are known for their versatility in synthetic chemistry. Unlike more complex structures such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this molecule offers a more accessible synthetic intermediate while maintaining significant functional utility. Its nitrile group provides excellent reactivity for further chemical transformations, while the piperidine moiety contributes to improved handling characteristics and compatibility with various reaction conditions. From a safety perspective, 2-piperidin-1-ylbenzonitrile is classified under ADR Class 9 (miscellaneous dangerous goods) with an Aquatic Chronic 2 hazard classification, requiring appropriate environmental precautions during handling and disposal. The GHS09 pictogram indicates potential environmental hazards, necessitating proper containment measures. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and as a building block in the production of advanced materials. The compound also finds applications in research and development settings where its unique structural features are leveraged for novel chemical transformations. OYSI maintains reliable supply chains for 2-piperidin-1-ylbenzonitrile, ensuring consistent availability for industrial customers across Europe.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2-Piperidin-1-ylbenzonitril, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-piperidin-1-ylbenzonitrile?
2-piperidin-1-ylbenzonitrile is an organic compound with the molecular formula C12H14N2 and molecular weight of 186.25 g/mol. This chemical features a benzonitrile core structure substituted with a piperidine ring at the ortho position. It is classified under CAS number 72752-52-4 and belongs to the category of nitrogen-containing heterocyclic compounds, combining both aromatic and saturated ring systems in its molecular structure.
What are the physicochemical properties of 2-piperidin-1-ylbenzonitrile?
2-piperidin-1-ylbenzonitrile is a stable organic compound with a molecular weight of 186.25 g/mol. The molecule contains both a benzonitrile group and a saturated piperidine ring, which influences its physicochemical behavior. As a substituted benzonitrile derivative, it typically exhibits moderate polarity due to the cyano group, while the piperidine substitution affects its solubility profile and intermolecular interactions.
What is 2-piperidin-1-ylbenzonitrile used for?
2-piperidin-1-ylbenzonitrile serves as an important intermediate in pharmaceutical and fine chemical synthesis. The compound's unique structure, combining piperidine and benzonitrile moieties, makes it valuable for developing various bioactive molecules and pharmaceutical compounds. It is primarily used in research and development applications, particularly in medicinal chemistry where the piperidine ring system is frequently incorporated into drug molecules for its favorable pharmacological properties.
How to handle 2-piperidin-1-ylbenzonitrile safely?
2-piperidin-1-ylbenzonitrile should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. While it has no specific signal word under GHS classification, proper chemical hygiene practices should be followed, including avoiding direct skin and eye contact and preventing ingestion.
How to store 2-piperidin-1-ylbenzonitrile correctly?
2-piperidin-1-ylbenzonitrile should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. The storage area should be secure and accessible only to trained personnel. As with most organic chemicals, it should be kept away from incompatible materials such as strong oxidizing agents. Proper labeling and inventory management should be maintained to ensure product integrity and traceability.
What to do in case of contact with 2-piperidin-1-ylbenzonitrile?
In case of skin contact with 2-piperidin-1-ylbenzonitrile, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for several minutes and remove contact lenses if present and easily removable. If the substance is inhaled, move the person to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult safety data sheets for specific first aid measures.
How to dispose of 2-piperidin-1-ylbenzonitrile appropriately?
2-piperidin-1-ylbenzonitrile must be disposed of in accordance with local, national, and international waste regulations. Due to its Aquatic Chronic 2 classification, special attention should be paid to preventing environmental release. The compound should be collected and disposed of through licensed waste management facilities capable of handling organic chemical waste. Never dispose of it down drains or in regular waste streams, as this could cause environmental contamination.
How to transport 2-piperidin-1-ylbenzonitrile?
2-piperidin-1-ylbenzonitrile is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Shipments must comply with ADR requirements including proper packaging specifications, hazard labels, and transport documentation. Only certified carriers experienced in handling chemical products should be used for transportation to ensure regulatory compliance and safety.
Is 2-piperidin-1-ylbenzonitrile subject to specific regulations?
2-piperidin-1-ylbenzonitrile is subject to standard chemical regulations including REACH registration requirements in the European Union. It is classified under the CLP Regulation with hazard class Aquatic Chronic 2, requiring appropriate labeling with GHS09 pictogram. The compound is not listed as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations, environmental protection laws, and proper chemical management practices according to their local jurisdiction.
Where to buy 2-piperidin-1-ylbenzonitrile in Europe?
2-piperidin-1-ylbenzonitrile is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains and regulatory compliance support for customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, storage, and documentation of this compound. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific requirements and location within Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.