2-piperidin-1-ylbenzonitrile

C12H14N2

CAS72752-52-4
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 featuring a piperidine substituent with specialized industrial applications. This organic compound represents a significant chemical intermediate in pharmaceutical and fine chemical synthesis. With its molecular formula C12H14N2 and molecular weight of 186.25 g/mol, 2-piperidin-1-ylbenzonitrile combines the structural features of benzonitrile with a piperidine ring system, creating unique chemical properties valuable for various industrial processes. The compound's structure incorporates both aromatic and aliphatic nitrogen functionalities, making it particularly useful in synthetic chemistry applications. From a safety perspective, this substance is classified under GHS pictogram GHS09 with an Aquatic Chronic 2 hazard classification, indicating potential long-term environmental effects on aquatic organisms. The ADR class 9 designation categorizes it as a miscellaneous dangerous substance requiring appropriate handling protocols during transportation and storage. While no specific signal word is assigned, proper laboratory safety measures should always be implemented when working with this compound. The primary industrial applications of 2-piperidin-1-ylbenzonitrile include its use as a pharmaceutical intermediate in drug synthesis, particularly in the development of compounds targeting neurological pathways. It also serves as a building block in agrochemical synthesis and specialty chemical manufacturing. The compound's versatility is enhanced by its structural similarity to other complex aromatic compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, which shares applications in pharmaceutical development. OYSI provides reliable access to 2-piperidin-1-ylbenzonitrile for European industrial customers, ensuring consistent quality and regulatory compliance for demanding technical applications.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-Piperidin-1-ylbenzonitril, fest
Marine PollutantNo

Frequently Asked Questions

What is 2-piperidin-1-ylbenzonitrile?

2-piperidin-1-ylbenzonitrile is an organic chemical compound with the molecular formula C12H14N2 and CAS number 72752-52-4. This substance features a benzonitrile core structure with a piperidine ring attached, giving it a molecular weight of 186.25 g/mol. It belongs to the class of nitrogen-containing heterocyclic compounds and is classified as having chronic aquatic toxicity (Aquatic Chronic 2). The compound is used in various industrial applications requiring specialized organic intermediates.

What are the physicochemical properties of 2-piperidin-1-ylbenzonitrile?

2-piperidin-1-ylbenzonitrile is a solid organic compound at room temperature with a molecular weight of 186.25 g/mol. The substance contains both aromatic and aliphatic nitrogen functionalities, which influence its chemical behavior and solubility characteristics. As a benzonitrile derivative with a piperidine substituent, it exhibits moderate polarity and specific reactivity patterns typical of nitrile-containing compounds. Its exact physical appearance, melting point, and detailed solubility data require specific analytical characterization.

What is 2-piperidin-1-ylbenzonitrile used for?

2-piperidin-1-ylbenzonitrile serves as an important chemical intermediate in pharmaceutical and fine chemical synthesis. The compound's unique structural features, combining a nitrile group with a piperidine ring, make it valuable for developing active pharmaceutical ingredients and advanced organic materials. It is commonly utilized in research and development laboratories for synthetic organic chemistry projects. Industrial applications may include its use as a building block for more complex molecular structures in medicinal chemistry and materials science.

How to handle 2-piperidin-1-ylbenzonitrile safely?

2-piperidin-1-ylbenzonitrile requires standard laboratory safety precautions during handling and use. Wear appropriate personal protective equipment including safety glasses, gloves, and laboratory coats to prevent direct contact. Ensure adequate ventilation in work areas to minimize inhalation exposure. The substance is classified as Aquatic Chronic 2, indicating environmental concerns, so prevent environmental release. Follow good laboratory practices, avoid ingestion, and wash hands thoroughly after handling. Work in well-ventilated areas or under fume hoods when processing larger quantities.

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 direct sunlight and heat sources. Keep the substance in its original packaging with proper labeling including hazard information. Store away from incompatible materials such as strong oxidizing agents and acids. Maintain storage temperatures according to supplier specifications and ensure containers are properly sealed to prevent contamination or degradation. Implement appropriate inventory management to use older stock first and prevent long-term storage issues.

What to do in case of contact with 2-piperidin-1-ylbenzonitrile?

In case of skin contact with 2-piperidin-1-ylbenzonitrile, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately and seek medical attention if breathing difficulties occur. In case of accidental ingestion, rinse mouth with water and seek immediate medical attention. Do not induce vomiting unless specifically instructed by medical professionals.

How to dispose of 2-piperidin-1-ylbenzonitrile properly?

2-piperidin-1-ylbenzonitrile must be disposed of according to local, national, and international environmental regulations due to its Aquatic Chronic 2 classification. Contact licensed waste disposal companies specialized in chemical waste management for proper treatment and disposal. Never discharge the substance into drains, sewers, or waterways as it poses chronic aquatic toxicity risks. Small laboratory quantities should be collected in appropriate waste containers and labeled properly. Consider waste minimization strategies and recycling options where technically and economically feasible.

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 specific packaging, labeling, and documentation according to international dangerous goods regulations. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper hazard labels and transport documentation accompany shipments. Follow carrier-specific requirements and international transport regulations including IATA for air transport and IMDG for sea transport when shipping internationally.

Is 2-piperidin-1-ylbenzonitrile subject to specific regulations?

2-piperidin-1-ylbenzonitrile is subject to standard chemical regulations including REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union. The substance is not currently listed as an SVHC (Substance of Very High Concern). It falls under CLP (Classification, Labelling and Packaging) regulations due to its Aquatic Chronic 2 classification, requiring appropriate GHS09 environmental hazard pictograms. Handlers must comply with occupational safety regulations and environmental protection requirements specific to their jurisdiction and industry sector.

Where to buy 2-piperidin-1-ylbenzonitrile in Europe?

2-piperidin-1-ylbenzonitrile is available through OYSI, a trusted European distributor of specialty chemicals and industrial raw materials. OYSI provides reliable supply chain solutions for this compound to research institutions, pharmaceutical companies, and industrial customers across Europe. The company ensures proper handling, storage, and transportation according to regulatory requirements. Contact OYSI's technical sales team for specific quantities, packaging options, and delivery arrangements. They can provide detailed product specifications, safety documentation, and regulatory compliance support for your specific application needs.

Data Sources

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