Nitrobenzene

C6H5NO2

nitrobenzene

CAS98-95-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
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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 serves as a fundamental building block in organic synthesis and industrial chemistry. With the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol, nitrobenzene represents one of the most important aromatic nitro compounds in commercial use. The substance exhibits typical aromatic characteristics combined with the electron-withdrawing properties of the nitro group, making it valuable for various synthetic transformations. From a safety perspective, nitrobenzene requires careful handling due to its classification as a Category 2 carcinogen and Category 1B reproductive toxicant. The compound presents acute toxicity risks through multiple exposure routes and can cause specific target organ toxicity following repeated exposure. Proper personal protective equipment and engineering controls are essential when working with this material. The substance also shows moderate aquatic toxicity, necessitating appropriate environmental safeguards during use and disposal. Industrially, nitrobenzene finds primary application in aniline production through catalytic reduction processes. It also serves as an important intermediate in the manufacture of various dyes, pharmaceuticals, and specialty chemicals. The compound's reactivity profile makes it particularly useful in electrophilic aromatic substitution reactions and as a precursor for other aromatic compounds. Related substances in industrial synthesis include N-methylaniline, which shares similar aromatic amine chemistry applications. OYSI provides technical-grade nitrobenzene to support diverse industrial applications across Europe, ensuring reliable supply for chemical manufacturing processes.

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, consisting of a benzene ring with one nitro group (-NO2) attached. This pale yellow, oily liquid has a molecular weight of 123.11 g/mol and serves as an important industrial chemical intermediate. It appears as a yellow to brown liquid with a characteristic almond-like odor and is classified as a hazardous substance due to its carcinogenic, reproductive toxic, and acute toxic properties.

What are the physicochemical properties of nitrobenzene?

Nitrobenzene is a pale yellow to light brown oily liquid at room temperature with a distinctive 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 (about 2 g/L at 20°C) but readily soluble in organic solvents such as alcohol, ether, and benzene. It has a density of approximately 1.20 g/cm³, making it denser than water.

What is nitrobenzene used for?

Nitrobenzene is primarily used as an intermediate in the production of aniline, which is subsequently used to manufacture polyurethane foams, dyes, pharmaceuticals, and rubber chemicals. It serves as a precursor for various chemical syntheses including the production of benzidine, quinoline, and azobenzene. Additionally, nitrobenzene finds applications in the manufacture of perfumes, shoe polish, floor polish, and as a solvent in certain industrial processes, though these uses are limited due to its toxicity.

How to handle nitrobenzene safely?

Nitrobenzene requires strict safety measures including wearing chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Given its classification as Acute Tox. 3 and carcinogenic properties, respiratory protection may be necessary. Avoid contact with eyes, skin, and clothing. Wash hands thoroughly after handling and never eat, drink, or smoke in work areas where nitrobenzene is present.

How to store nitrobenzene correctly?

Nitrobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, sparks, and direct sunlight. Keep containers in secondary containment to prevent spills and maintain storage temperatures below 25°C when possible. Store away from incompatible materials such as strong oxidizers, alkalis, and reducing agents. Ensure storage areas are equipped with appropriate fire suppression systems and that containers are properly labeled according to CLP regulations.

What to do in case of contact with nitrobenzene?

Nitrobenzene exposure requires immediate action: for skin contact, remove contaminated clothing and wash affected area with soap and water for at least 15 minutes. In case of eye contact, flush immediately with water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air and seek medical attention. For ingestion, do not induce vomiting and seek immediate medical care. Given its reproductive toxicity and carcinogenic properties, always consult medical professionals after any exposure incident.

How to dispose of nitrobenzene appropriately?

Nitrobenzene disposal must comply with local and national hazardous waste regulations as it is classified as dangerous waste. The substance should never be poured down drains or disposed of with regular waste. Disposal typically requires incineration at authorized high-temperature facilities capable of handling toxic organic compounds. Collection, transport, and disposal must be performed by licensed hazardous waste management companies. Maintain proper documentation and waste tracking records as required by applicable environmental regulations.

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 hazard labels and documentation. Transport vehicles need appropriate placarding and emergency response information. Drivers must hold valid dangerous goods transport certification. The substance requires segregation from incompatible materials during transport and must be accompanied by proper shipping papers including safety data sheets and emergency response procedures.

Is nitrobenzene subject to specific regulations?

Nitrobenzene is subject to comprehensive European regulations under REACH and CLP, requiring registration and classification as Carc. 2, Repr. 1B, and Acute Tox. 3. It falls under various occupational exposure limits and workplace safety directives. The substance is regulated for environmental protection due to its Aquatic Chronic 3 classification and requires appropriate risk management measures. Industrial users must implement exposure scenarios and risk mitigation measures. Transport is governed by ADR regulations for toxic substances Class 6.1.

Where to buy nitrobenzene in Europe?

Nitrobenzene is available through OYSI, a specialized European distributor of industrial chemicals serving various industrial sectors. As a professional chemical distributor, OYSI provides nitrobenzene with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Given the hazardous nature of nitrobenzene, purchases typically require verification of legitimate industrial use and appropriate handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application requirements.

Data Sources

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