2-chlorobenzonitrile
C7H4ClN
Consulting for 2-chlorobenzonitrile
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Identification
- CAS Number
- 873-32-5
- EC Number
- 212-836-5
- UN Number
- 3439
- Index Number
- 608-013-00-9
- PubChem CID
- 13391
Physical-chemical properties
- Molecular Formula
- C7H4ClN
- Molar Mass
- 137.56 g/mol
- IUPAC Name
- 2-chlorobenzonitrile
Chemical Identifiers
- InChI
- InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- InChI Key
- NHWQMJMIYICNBP-UHFFFAOYSA-N
Overview
2-chlorobenzonitrile (CAS 873-32-5) is an aromatic nitrile compound characterized by a chlorine substituent at the ortho position relative to the cyano group. This halogenated benzonitrile derivative serves as an important intermediate in organic synthesis and pharmaceutical manufacturing. The compound features a benzene ring substituted with both a chlorine atom and a nitrile group in adjacent positions, creating a versatile building block for various chemical transformations. Its molecular structure (C7H4ClN) provides reactive sites that enable nucleophilic substitution reactions and other synthetic modifications essential in fine chemical production. From a safety perspective, 2-chlorobenzonitrile requires careful handling due to its classification as Acute Tox. 4 and Eye Irrit. 2 under GHS regulations. The compound carries the warning signal word and GHS07 pictogram, indicating moderate toxicity risks that necessitate appropriate personal protective equipment and ventilation systems during handling. Its ADR classification 6.1 reflects its status as a toxic substance requiring specific transport protocols. The compound finds primary applications in pharmaceutical synthesis as an intermediate for active pharmaceutical ingredients, particularly in the development of anti-inflammatory and antimicrobial compounds. It also serves in the production of specialty dyes and pigments, where its aromatic nitrile structure contributes to chromophoric properties. Additionally, 2-chlorobenzonitrile is utilized in agrochemical synthesis, similar to how benzonitrile derivatives are employed in pesticide manufacturing, though with enhanced selectivity due to the chlorine substitution. OYSI maintains reliable supply chains for 2-chlorobenzonitrile to support European pharmaceutical and chemical manufacturers with consistent quality and regulatory compliance.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; Eye Irrit. 2
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
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:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | 3439 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | 2-Chlorbenzonitril, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-chlorobenzonitrile?
2-chlorobenzonitrile is an organic chemical compound with the molecular formula C7H4ClN and CAS number 873-32-5. This aromatic nitrile features a benzene ring substituted with both a chlorine atom and a cyano group (-CN) in the ortho position. With a molecular weight of 137.56 g/mol, it serves as an important intermediate in pharmaceutical and agrochemical synthesis. The compound is classified as moderately toxic and requires careful handling due to its acute toxicity and eye irritation properties.
What are the physicochemical properties of 2-chlorobenzonitrile?
2-chlorobenzonitrile is typically a colorless to pale yellow crystalline solid at room temperature. As an aromatic nitrile compound, it exhibits low solubility in water but dissolves readily in organic solvents such as ethanol, acetone, and dichloromethane. The compound has a characteristic aromatic odor and maintains stability under normal conditions. Its aromatic structure with electron-withdrawing substituents influences its reactivity and physical properties, making it suitable for various synthetic applications in organic chemistry.
What is 2-chlorobenzonitrile used for?
2-chlorobenzonitrile serves primarily as a chemical intermediate in pharmaceutical and agrochemical manufacturing. It is commonly used in the synthesis of various active pharmaceutical ingredients, particularly in the production of antifungal and antibacterial compounds. The compound also finds application in the manufacture of dyes, pigments, and specialty chemicals. Additionally, it serves as a building block for synthesizing more complex organic molecules in research and development laboratories, where its reactive nitrile and chlorine substituents enable diverse chemical transformations.
How to handle 2-chlorobenzonitrile safely?
2-chlorobenzonitrile requires careful handling due to its acute toxicity (Acute Tox. 4) and eye irritation properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation exposure. Prevent skin and eye contact, and avoid ingestion. Use proper handling techniques to minimize dust generation and potential exposure. Follow workplace safety protocols and ensure emergency procedures are readily available before beginning work with this substance.
How to store 2-chlorobenzonitrile correctly?
2-chlorobenzonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep the substance away from incompatible materials such as strong oxidizing agents, strong bases, and reducing agents. Store in original labeled containers made of appropriate chemical-resistant materials. Maintain storage temperatures below 25°C when possible and ensure proper inventory management using first-in-first-out principles. Implement appropriate containment measures to prevent environmental release in case of container failure.
What to do in case of contact with 2-chlorobenzonitrile?
In case of skin contact with 2-chlorobenzonitrile, 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 at least 15 minutes and seek medical attention promptly due to its eye irritation properties. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms develop or persist after exposure.
How to dispose of 2-chlorobenzonitrile appropriately?
2-chlorobenzonitrile must be disposed of as hazardous waste in accordance with local, national, and international regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge this substance into sewers, waterways, or soil. Small quantities should be collected in appropriate containers and labeled for hazardous waste pickup. Incineration in authorized facilities equipped with appropriate emission controls is typically the preferred disposal method. Always consult with environmental authorities and waste management specialists for specific disposal requirements in your region.
How to transport 2-chlorobenzonitrile?
2-chlorobenzonitrile is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification indicates it requires specific packaging, labeling, and documentation for safe transport. Use UN-approved packaging suitable for toxic substances and ensure proper hazard labels and placards are displayed. Transport vehicles must comply with ADR requirements including appropriate segregation from incompatible materials. Only trained personnel should handle transportation, and proper shipping papers including safety data sheets must accompany shipments throughout the logistics chain.
Is 2-chlorobenzonitrile subject to specific regulations?
2-chlorobenzonitrile is subject to various chemical regulations including REACH registration requirements in the European Union and CLP classification standards. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must be handled according to its hazard classification as Acute Tox. 4 and Eye Irrit. 2, requiring appropriate risk management measures. Companies using this substance must comply with occupational safety regulations, environmental protection standards, and chemical inventory reporting requirements specific to their jurisdiction and industry sector.
Where to buy 2-chlorobenzonitrile in Europe?
2-chlorobenzonitrile is available through OYSI, a reliable European distributor of specialty chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support throughout Europe. As a professional chemical distributor, OYSI ensures appropriate packaging, handling, and logistics for hazardous materials like 2-chlorobenzonitrile. Contact OYSI directly to discuss your specific requirements, quantities, and delivery options for this substance, along with technical support and regulatory guidance for your applications.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.