Benzonitrile

C7H5N

benzonitrile

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

Consulting for Benzonitrile

Our experts support you with application, dosage, and compliance.

Request Consultation

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 with a characteristic almond-like odor and excellent solvent properties for polar organic synthesis applications. This colorless to pale yellow liquid represents one of the simplest aromatic nitriles, consisting of a benzene ring directly attached to a cyano group. With its molecular formula C7H5N and molecular weight of 103.12 g/mol, benzonitrile serves as a versatile chemical intermediate in organic synthesis and industrial processes. The compound exhibits moderate toxicity, classified under GHS07 pictogram with Acute Toxicity Category 4 for both oral and dermal exposure routes, requiring careful handling protocols in industrial environments. Benzonitrile demonstrates excellent thermal stability and dissolves readily in most organic solvents while showing limited water solubility. Its boiling point of approximately 191°C and melting point around -13°C make it suitable for various temperature-controlled applications. The compound's nitrile functionality provides reactive sites for numerous chemical transformations, including hydrolysis to benzoic acid and reduction to benzylamine derivatives. Unlike more complex organophosphorus compounds such as 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide, benzonitrile offers straightforward handling and purification procedures. Primary industrial applications include its use as a solvent in electrochemical processes, particularly in lithium battery electrolytes, and as an intermediate in pharmaceutical synthesis. The compound also serves in the production of rubber chemicals and as a processing aid in polymer manufacturing. Its role in organic synthesis extends to the preparation of various benzene derivatives and heterocyclic compounds. OYSI maintains reliable supply chains for benzonitrile, ensuring consistent quality and technical support for European 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 nitrile compound with the chemical formula C7H5N and CAS number 100-47-0. It consists of a benzene ring attached to a nitrile group (-CN), giving it a molecular weight of 103.12 g/mol. This organic compound appears as a colorless liquid with a sweet almond-like odor and is classified as moderately toxic with acute toxicity category 4 under GHS classification.

What are the physicochemical properties of benzonitrile?

Benzonitrile is a colorless, oily liquid with a characteristic sweet almond-like odor at room temperature. It has a boiling point of approximately 191°C and is slightly soluble in water but miscible with most organic solvents including alcohols, ethers, and aromatic hydrocarbons. The compound has a density of about 1.01 g/cm³ and exhibits good thermal stability under normal conditions.

What is benzonitrile used for?

Benzonitrile serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. It is commonly used in the production of benzoic acid derivatives, dyes, rubber chemicals, and various pharmaceutical compounds. Additionally, it functions as a solvent for resins and polymers in industrial applications, and as a precursor in the synthesis of benzylamine and other nitrogen-containing organic compounds.

How to handle benzonitrile safely?

Benzonitrile requires careful handling due to its acute toxicity classification. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency eyewash stations and safety showers are readily accessible.

How to store benzonitrile correctly?

Benzonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, sparks, and direct sunlight. The storage area must be separated from incompatible materials such as strong oxidizing agents and strong bases. Containers should be properly labeled and stored in secondary containment to prevent environmental contamination in case of leakage.

What to do in case of contact with benzonitrile?

Immediate first aid measures for benzonitrile exposure include removing contaminated clothing and rinsing affected skin with plenty of water for at least 15 minutes. In case of eye contact, flush eyes thoroughly with clean water and seek medical attention immediately. If inhaled, move the person to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical care.

How to dispose of benzonitrile appropriately?

Benzonitrile disposal must comply with local and national hazardous waste regulations due to its toxic classification. The substance should never be poured down drains or disposed of with regular waste. Proper disposal involves collection by licensed hazardous waste contractors who can ensure incineration at appropriate high-temperature facilities or other approved treatment methods according to environmental protection guidelines.

How to transport benzonitrile?

Benzonitrile is classified as ADR Class 6.1 (toxic substances), Packing Group II, requiring specific transport regulations for dangerous goods. Transportation must use UN-approved packaging with proper labeling including GHS07 pictograms and 'Warning' signal word. Vehicles must carry appropriate documentation, emergency response information, and drivers require ADR certification for transporting toxic materials across European borders.

Is benzonitrile subject to specific regulations?

Benzonitrile is regulated under various European legislation including CLP Regulation for classification and labeling as Acute Tox. 4, and REACH Regulation for registration and safe use requirements. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, waste management regulations, and transport requirements for toxic substances under ADR classification.

Where to buy benzonitrile in Europe?

Benzonitrile is available through OYSI, a European distributor specializing in technical chemical products. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures product quality and can assist with technical specifications, handling guidelines, and regulatory requirements for benzonitrile procurement.

Data Sources

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