Benzonitrile

C7H5N

benzonitrile

CAS100-47-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
100-47-0
EC Number
202-855-7
UN Number
2224
Index Number
608-012-00-3
PubChem CID
7505

Physical-chemical properties

Molecular Formula
C7H5N
Molar Mass
103.12 g/mol
IUPAC Name
benzonitrile

Chemical Identifiers

InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChI Key
JFDZBHWFFUWGJE-UHFFFAOYSA-N

Overview

Benzonitrile (CAS 100-47-0) is an aromatic nitrile compound featuring a benzene ring directly bonded to a cyano group, serving as a versatile chemical intermediate in organic synthesis. This colorless liquid organic compound belongs to the aromatic nitrile family and plays a crucial role in various industrial chemical processes. With its molecular formula C7H5N and molecular weight of 103.12 g/mol, benzonitrile exhibits distinctive chemical properties that make it valuable for synthetic applications. The compound is characterized by its aromatic benzene ring structure with an attached nitrile functional group (-CN), which imparts unique reactivity patterns essential for organic transformations. From a safety perspective, benzonitrile is classified under GHS pictogram GHS07 with a "Warning" signal word, indicating Acute Toxicity Category 4 for both oral and dermal exposure routes. The substance falls under ADR Class 6.1, requiring appropriate handling procedures and safety measures during transportation and storage. Users must implement proper ventilation systems and personal protective equipment when working with this material to ensure workplace safety compliance. The primary industrial applications of benzonitrile include its use as a chemical intermediate in pharmaceutical synthesis, particularly in the production of active pharmaceutical ingredients. It also serves as a solvent in specialized chemical reactions and as a starting material for the synthesis of various aromatic compounds. The compound finds application in the manufacture of rubber chemicals and as a precursor for other nitrile-containing molecules. While structurally different from organophosphorus compounds like 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide, benzonitrile shares similar applications in pharmaceutical intermediate synthesis. OYSI maintains reliable supply chains for benzonitrile across European markets, ensuring consistent availability for industrial customers requiring this essential chemical intermediate.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

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

Harmful

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

Harmful

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 Number2224
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameBenzonitril
Marine PollutantNo

Frequently Asked Questions

What is benzonitrile?

Benzonitrile is an aromatic organic compound with the molecular formula C7H5N and CAS number 100-47-0. It consists of a benzene ring attached to a nitrile group (-CN), making it the simplest aromatic nitrile. With a molecular weight of 103.12 g/mol, benzonitrile appears as a colorless liquid with a characteristic almond-like odor. It is classified as acutely toxic (Category 4) and requires careful handling in industrial and laboratory applications.

What are the physicochemical properties of benzonitrile?

Benzonitrile is a colorless liquid at room temperature with a distinctive sweet, almond-like odor. It has a boiling point of approximately 191°C and a melting point of -13°C. The compound is slightly soluble in water but readily dissolves in organic solvents such as ethanol, ether, and benzene. It has a density of about 1.01 g/cm³ and exhibits good thermal stability under normal conditions.

What is benzonitrile used for?

Benzonitrile is primarily used as an intermediate in the synthesis of various chemicals and pharmaceuticals. It serves as a precursor for benzoic acid production, rubber chemicals, and dye intermediates. The compound is also utilized in the manufacture of pesticides, particularly herbicides, and as a solvent in specialized applications. Additionally, it finds use in the production of benzamide derivatives and other nitrogen-containing organic compounds in fine chemical synthesis.

How to handle benzonitrile safely?

Benzonitrile requires careful handling due to its acute toxicity classification (Category 4). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems to avoid inhalation exposure. Prevent skin and eye contact, and avoid ingestion. Use non-sparking tools and ensure proper grounding to prevent static electricity buildup during transfer operations.

How to store benzonitrile correctly?

Benzonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers in secondary containment to prevent spills. Store away from strong oxidizing agents, acids, and bases to prevent incompatible reactions. Maintain storage temperatures below 25°C and ensure adequate fire protection measures are in place. Regular inspection of containers for leaks or deterioration is recommended.

What to do in case of contact with benzonitrile?

In case of skin contact with benzonitrile, 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 the person to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Always consult a physician after any significant exposure.

How to dispose of benzonitrile properly?

Benzonitrile disposal must comply with local environmental regulations and waste management guidelines. The compound should be treated as hazardous chemical waste and never disposed of down drains or in regular trash. Contact licensed waste disposal companies for proper treatment, which may include incineration at high temperatures or chemical treatment. Maintain proper documentation of waste disposal activities and ensure compliance with REACH and national waste regulations.

How to transport benzonitrile?

Benzonitrile is classified under ADR as Class 6.1 (toxic substances), Packing Group II, requiring specialized transport procedures. It must be packaged in UN-approved containers with proper labeling including GHS07 pictograms and 'Warning' signal word. Transport vehicles must carry appropriate emergency equipment and documentation. Drivers require ADR certification for Class 6.1 materials, and transport must comply with routing restrictions and emergency response protocols.

Is benzonitrile subject to specific regulations?

Benzonitrile is subject to REACH regulation requiring registration for manufacture or import above one tonne annually. It falls under CLP classification as Acute Tox. 4 with mandatory GHS07 labeling and 'Warning' signal word. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, safety data sheet requirements, and national chemical safety regulations in their respective countries.

Where to buy benzonitrile in Europe?

Benzonitrile is available through OYSI, a specialized European distributor of technical chemicals serving industrial customers across Europe. OYSI provides high-quality benzonitrile with complete regulatory documentation including safety data sheets and certificates of analysis. As an established chemical distributor, OYSI ensures compliance with European regulations and offers reliable supply chain solutions for businesses requiring benzonitrile for their manufacturing processes.

Data Sources

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