1-methyl-4-nitrobenzene

C7H7NO2

CAS99-99-0
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 1-methyl-4-nitrobenzene

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Identification

CAS Number
99-99-0
EC Number
202-808-0
UN Number
3446
Index Number
609-006-00-3
PubChem CID
7473

Physical-chemical properties

Molecular Formula
C7H7NO2
Molar Mass
137.14 g/mol
IUPAC Name
1-methyl-4-nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChI Key
ZPTVNYMJQHSSEA-UHFFFAOYSA-N

Overview

1-methyl-4-nitrobenzene (CAS 99-99-0) is an aromatic nitro compound with distinctive yellow crystalline appearance and significant industrial applications. This chemical substance, also known by its IUPAC designation 1-methyl-4-nitrobenzene, represents a fundamental building block in organic synthesis and industrial chemistry. With the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol, this compound features a benzene ring substituted with both a methyl group and a nitro group in para positions, creating a stable yet reactive aromatic system. The compound exhibits significant toxicological properties, classified under multiple Acute Toxicity Category 3 classifications across different exposure routes, alongside Specific Target Organ Toxicity (Repeated Exposure) Category 2 and Aquatic Chronic Toxicity Category 2. These hazard classifications necessitate careful handling protocols and appropriate safety measures during storage, transportation, and use. The substance carries ADR Class 6.1 designation for transport purposes and displays GHS06, GHS08, and GHS09 pictograms with a "Danger" signal word. In industrial applications, 1-methyl-4-nitrobenzene serves primarily as an intermediate in the synthesis of dyes, pharmaceuticals, and agrochemicals. Its chemical structure makes it particularly valuable in reduction reactions to produce corresponding amines, which find extensive use in manufacturing processes. The compound also functions as a precursor in the production of various specialty chemicals and serves as a starting material for more complex aromatic compounds. Related substances in this chemical family include compounds like 5-methyl-2-nitroaniline, which share similar structural features and synthetic applications. OYSI maintains reliable supply chains for 1-methyl-4-nitrobenzene to support European industrial customers with consistent quality and technical support.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H411

Toxic 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 Number3446
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name4-Nitrotoluen, fest
Marine PollutantNo

Frequently Asked Questions

What is 1-methyl-4-nitrobenzene?

1-methyl-4-nitrobenzene is an aromatic nitro compound with the molecular formula C7H7NO2 and CAS number 99-99-0. This chemical consists of a benzene ring substituted with a methyl group at position 1 and a nitro group at position 4. With a molecular weight of 137.14 g/mol, it belongs to the class of mononitrotoluenes and is classified as a dangerous substance due to its acute toxicity and potential for causing specific target organ toxicity upon repeated exposure.

What are the physicochemical properties of 1-methyl-4-nitrobenzene?

1-methyl-4-nitrobenzene typically appears as a pale yellow crystalline solid or liquid at room temperature. It has a characteristic aromatic odor and is slightly soluble in water but readily dissolves in organic solvents such as ethanol, ether, and benzene. The compound has a melting point around 51-54°C and a boiling point of approximately 238°C. It is stable under normal conditions but can decompose when exposed to strong heat or incompatible materials.

What is 1-methyl-4-nitrobenzene used for?

1-methyl-4-nitrobenzene is primarily used as an intermediate in the synthesis of various chemical compounds, particularly in the production of dyes, pigments, and pharmaceuticals. It serves as a precursor for the manufacture of p-toluidine through reduction processes and is utilized in the synthesis of various organic compounds in the chemical industry. The substance is also employed in research and development applications for organic synthesis and as a building block for more complex molecular structures.

How to handle 1-methyl-4-nitrobenzene safely?

1-methyl-4-nitrobenzene requires careful handling due to its acute toxicity classification (Acute Tox. 3). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection when ventilation is inadequate. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure no ingestion occurs. Emergency shower and eyewash stations should be readily accessible, and personnel should be trained in proper handling procedures.

How to store 1-methyl-4-nitrobenzene correctly?

1-methyl-4-nitrobenzene should be stored in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Use appropriate chemical storage cabinets designed for toxic substances, ensuring containers are tightly sealed to prevent vapor release. Store separately from incompatible materials such as strong oxidizers, reducing agents, and bases. Maintain storage temperatures below 25°C when possible and ensure proper labeling according to GHS requirements including the danger signal word and appropriate pictograms.

What to do in case of contact with 1-methyl-4-nitrobenzene?

Immediate action is required upon contact with 1-methyl-4-nitrobenzene due to its acute toxicity. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always contact emergency services or poison control centers for serious exposures.

How to dispose of 1-methyl-4-nitrobenzene appropriately?

1-methyl-4-nitrobenzene must be disposed of as hazardous waste in accordance with local, national, and EU regulations. The substance cannot be disposed of in regular waste streams due to its toxicity and environmental hazard classification (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper collection and treatment. Incineration at authorized facilities with appropriate emission controls is typically the preferred disposal method. Always consult local environmental authorities for specific disposal requirements and maintain proper waste documentation.

How to transport 1-methyl-4-nitrobenzene?

1-methyl-4-nitrobenzene is classified under ADR as Class 6.1 (toxic substances), Packing Group II, indicating significant transport hazards. Transportation requires appropriate dangerous goods packaging, labeling, and documentation according to ADR regulations. Vehicles must display proper hazard placards, and drivers need ADR certification for Class 6.1 substances. Packages must bear the correct UN identification number, proper shipping name, and hazard labels. Emergency response information must accompany shipments, and specific routing restrictions may apply in urban areas.

Is 1-methyl-4-nitrobenzene subject to specific regulations?

1-methyl-4-nitrobenzene is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with standard chemical safety data sheet requirements and hazard communication protocols. The substance is classified under multiple hazard categories requiring specific risk management measures. Companies handling this chemical must ensure proper registration, evaluation, and authorization procedures are followed according to REACH regulation requirements.

Where to buy 1-methyl-4-nitrobenzene in Europe?

1-methyl-4-nitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers across Europe, ensuring full regulatory compliance and proper documentation. As a professional chemical distributor, OYSI maintains appropriate safety data sheets, certificates of analysis, and regulatory documentation required for this hazardous substance. Contact OYSI directly for availability, technical specifications, and pricing information for your specific application requirements.

Data Sources

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