1-methoxy-4-nitrobenzene

C7H7NO3

CAS100-17-4

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Identification

CAS Number
100-17-4
EC Number
202-825-3
UN Number
3458
PubChem CID
7485

Physical-chemical properties

Molecular Formula
C7H7NO3
Molar Mass
153.14 g/mol
IUPAC Name
1-methoxy-4-nitrobenzene

Chemical Identifiers

InChI
InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key
BNUHAJGCKIQFGE-UHFFFAOYSA-N

Overview

1-methoxy-4-nitrobenzene (CAS 100-17-4) is an aromatic nitro compound with methoxy and nitro functional groups positioned para to each other on the benzene ring. This organic intermediate belongs to the family of substituted nitrobenzenes and serves as a valuable building block in pharmaceutical and chemical synthesis. With the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol, 1-methoxy-4-nitrobenzene features both electron-donating methoxy and electron-withdrawing nitro substituents, creating distinctive reactivity patterns that make it particularly useful in organic transformations. The compound typically appears as a crystalline solid with characteristic physical properties that facilitate its handling and processing in industrial applications. Its chemical structure allows for selective reactions at both the aromatic ring and the functional groups, enabling diverse synthetic pathways. The para-substitution pattern influences its reactivity compared to other isomers and related compounds such as 4-nitroaniline, providing specific advantages in certain chemical processes. From a safety perspective, 1-methoxy-4-nitrobenzene is classified under ADR Class 6.1, indicating it requires appropriate handling procedures and safety measures during transportation and storage. Proper ventilation, personal protective equipment, and adherence to established safety protocols are essential when working with this material. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, particularly in the production of active pharmaceutical ingredients where the para-substituted nitrobenzene framework is required. The compound also finds application in the manufacture of dyes and pigments, where its aromatic structure contributes to color development and stability. Additionally, it serves as a precursor in the synthesis of specialized organic compounds for various technical applications. OYSI maintains reliable supply chains for 1-methoxy-4-nitrobenzene to support European industrial customers with consistent quality and documentation.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number3458
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping Name4-Nitroanisol, fest
Marine PollutantNo

Frequently Asked Questions

What is 1-methoxy-4-nitrobenzene?

1-methoxy-4-nitrobenzene is an organic chemical compound with the molecular formula C7H7NO3 and CAS number 100-17-4. It belongs to the family of nitroaromatic compounds, featuring a benzene ring substituted with both a methoxy group (-OCH3) and a nitro group (-NO2) in para positions. This compound has a molecular weight of 153.14 g/mol and appears as a crystalline solid at room temperature.

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

1-methoxy-4-nitrobenzene presents as a pale yellow to yellow crystalline solid at room temperature with a characteristic aromatic odor. It has a melting point around 54°C and is practically insoluble in water but readily soluble in organic solvents such as ethanol, ether, and benzene. The compound exhibits stability under normal conditions but should be protected from strong oxidizing agents and excessive heat.

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

1-methoxy-4-nitrobenzene serves primarily as an important intermediate in organic synthesis and pharmaceutical manufacturing. It is commonly used in the production of dyes, pigments, and various pharmaceutical compounds. The compound also finds applications in the synthesis of 4-methoxyaniline through reduction processes and serves as a building block for agrochemicals and specialty chemicals in industrial processes.

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

1-methoxy-4-nitrobenzene should be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin and eye contact, and ensure no smoking or open flames are present in the work area. Always wash hands thoroughly after handling and before eating or drinking.

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

1-methoxy-4-nitrobenzene should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed and store away from strong oxidizing agents, strong acids, and incompatible materials. The storage area should be equipped with appropriate spill containment measures and maintained at temperatures below 25°C to ensure product stability and prevent decomposition.

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

1-methoxy-4-nitrobenzene contact requires immediate action depending on exposure route. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention. Always consult a physician if symptoms persist or worsen.

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

1-methoxy-4-nitrobenzene waste must be disposed of in accordance with local, national, and international environmental regulations. The compound should not be discharged into drains, water systems, or the environment. Disposal should be carried out through licensed waste management companies capable of handling chemical waste. Empty containers should also be treated as hazardous waste and disposed of through appropriate channels.

How to transport 1-methoxy-4-nitrobenzene?

1-methoxy-4-nitrobenzene is classified under ADR as Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation procedures. Transport vehicles must comply with ADR regulations including appropriate placarding and driver certification. Proper shipping papers and emergency response information must accompany shipments to ensure safe transportation throughout the supply chain.

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

1-methoxy-4-nitrobenzene is subject to various chemical regulations including REACH registration requirements in the European Union. The compound is not currently listed as a Substance of Very High Concern (SVHC) under REACH. However, it must comply with CLP regulation requirements for classification, labeling, and packaging. Users should maintain safety data sheets and ensure compliance with local occupational health and safety regulations.

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

1-methoxy-4-nitrobenzene is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides reliable supply chains across Europe with proper documentation, quality certificates, and regulatory compliance support. As an established chemical distributor, OYSI ensures product quality and can provide technical support for various applications requiring this important chemical intermediate.

Data Sources

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