Nitrobenzene

C6H5NO2

nitrobenzene

CAS98-95-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
98-95-3
EC Number
202-716-0
UN Number
1662
Index Number
609-003-00-7
PubChem CID
7416

Physical-chemical properties

Molecular Formula
C6H5NO2
Molar Mass
123.11 g/mol
IUPAC Name
nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key
LQNUZADURLCDLV-UHFFFAOYSA-N

Overview

Nitrobenzene (CAS 98-95-3) is an aromatic nitro compound with a characteristic benzene ring structure bearing a nitro functional group. This pale yellow, oily liquid represents one of the most important nitroaromatic compounds in industrial chemistry, serving as a fundamental building block for numerous synthetic processes. With the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol, nitrobenzene exhibits the characteristic properties of aromatic nitro compounds, including electron-withdrawing effects that significantly influence its reactivity patterns. The compound presents significant safety considerations, classified as a Category 2 carcinogen and Category 1B reproductive toxicant under GHS standards. Its acute toxicity profile requires careful handling protocols, as it can be absorbed through skin contact and poses risks via inhalation and ingestion routes. The substance also demonstrates specific target organ toxicity with repeated exposure, necessitating comprehensive risk management in industrial applications. Transportation falls under ADR Class 6.1, reflecting its toxic properties. Industrially, nitrobenzene serves primarily as a precursor in aniline production through catalytic hydrogenation, making it essential for polyurethane foam manufacturing, dye production, and pharmaceutical intermediates. The compound also finds application in solvent formulations and as a chemical intermediate in specialty chemical synthesis. Unlike related compounds such as N-methylaniline, nitrobenzene's nitro functionality provides unique reactivity for reduction reactions and electrophilic aromatic substitution processes. The substance requires specialized storage conditions and handling expertise due to its hazard profile and regulatory requirements. OYSI provides nitrobenzene with comprehensive technical support and safety documentation to qualified industrial customers across European markets.

Safety & Classification

Danger
Classification:

Carc. 2; Repr. 1B; Acute Tox. 3; Acute Tox. 3; Acute Tox. 3; STOT RE 1; Aquatic Chronic 3

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H412

Harmful 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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

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

Toxic

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 Number1662
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameNitrobenzen
Marine PollutantNo

Frequently Asked Questions

What is nitrobenzene?

Nitrobenzene is an aromatic organic compound with the chemical formula C6H5NO2 and CAS number 98-95-3. It consists of a benzene ring with a nitro group (-NO2) attached. This yellow, oily liquid has a molecular weight of 123.11 g/mol and possesses a distinctive almond-like odor. Nitrobenzene is classified as a hazardous substance with multiple health risks including carcinogenic and reproductive toxicity properties.

What are the physicochemical properties of nitrobenzene?

Nitrobenzene is a pale yellow, oily liquid at room temperature with a characteristic sweet almond-like odor. It has a boiling point of 210.9°C and a melting point of 5.7°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 approximately 1.20 g/cm³ and is relatively stable under normal conditions.

What is nitrobenzene used for?

Nitrobenzene is primarily used as an intermediate in the production of aniline, which is essential for manufacturing dyes, pharmaceuticals, and rubber chemicals. It serves as a precursor for various industrial chemicals including pesticides, synthetic rubber antioxidants, and pharmaceutical compounds. Additionally, nitrobenzene is used in the production of benzidine and other aromatic amines. It also finds application as a solvent in some specialized industrial processes.

How to handle nitrobenzene safely?

Nitrobenzene must be handled with extreme caution due to its toxic properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or under fume hoods. Avoid skin contact and inhalation as the compound can be absorbed through skin. Use only in designated areas with proper ventilation systems and have emergency shower and eyewash stations readily available.

How to store nitrobenzene correctly?

Nitrobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep containers in secondary containment systems to prevent spills. Store away from incompatible materials such as strong oxidizing agents, reducing agents, and bases. Maintain storage temperatures below 25°C and ensure proper labeling according to GHS requirements with appropriate hazard warnings.

What to do in case of contact with nitrobenzene?

In case of skin contact with nitrobenzene, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move the person to fresh air immediately and seek medical attention. For eye contact, rinse eyes with clean water for at least 15 minutes. If ingested, do not induce vomiting and seek immediate medical care. Always consult a physician after any exposure incident.

How to dispose of nitrobenzene properly?

Nitrobenzene must be disposed of as hazardous waste according to local and European waste regulations. Never pour it down drains or dispose of it with regular waste. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities can often be recovered through distillation for reuse. Always follow the waste classification codes and ensure proper documentation for waste tracking as required by regulatory authorities.

How to transport nitrobenzene?

Nitrobenzene is classified under ADR as Class 6.1 (toxic substances), Packing Group II, requiring specific transport protocols. It must be packaged in UN-approved containers with proper labeling including the UN number and hazard placards. Transport vehicles must carry appropriate emergency equipment and documentation. Only trained personnel should handle transportation, and specific routing restrictions may apply depending on local regulations and quantity transported.

Is nitrobenzene subject to specific regulations?

Nitrobenzene is subject to extensive European regulations including REACH registration requirements and CLP classification as Carcinogenic Category 2, Reproductive Toxicant 1B, and Acute Toxic Category 3. It requires specific risk management measures in workplace settings and is subject to occupational exposure limits. Companies using nitrobenzene must implement appropriate risk assessments and safety measures according to the chemical safety report requirements.

Where to buy nitrobenzene in Europe?

Nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. As a regulated substance requiring proper handling and documentation, it's essential to work with experienced suppliers who understand the regulatory requirements and can provide appropriate safety data sheets, certificates of analysis, and compliance documentation. Professional distributors like OYSI ensure proper packaging, labeling, and transportation according to European chemical regulations.

Data Sources

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