3-nitrobenzenesulfonic acid

C6H5NO5S

CAS98-47-5

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Identification

CAS Number
98-47-5
EC Number
202-671-7
UN Number
2305
PubChem CID
7387

Physical-chemical properties

Molecular Formula
C6H5NO5S
Molar Mass
203.17 g/mol
IUPAC Name
3-nitrobenzenesulfonic acid

Chemical Identifiers

InChI
InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
InChI Key
ONMOULMPIIOVTQ-UHFFFAOYSA-N

Overview

3-nitrobenzenesulfonic acid (CAS 98-47-5) is an aromatic sulfonic acid compound featuring both nitro and sulfonic acid functional groups on a benzene ring. This organic chemical compound belongs to the family of nitrobenzenesulfonic acids, characterized by the presence of a nitro group (-NO2) and a sulfonic acid group (-SO3H) attached to a benzene ring in the meta position. With the molecular formula C6H5NO5S and a molecular weight of 203.17 g/mol, this crystalline solid exhibits typical properties of both aromatic nitro compounds and sulfonic acids. The compound's dual functionality makes it particularly valuable in various chemical synthesis applications where both electron-withdrawing groups contribute to its reactivity profile. The substance is classified under ADR Class 8, indicating its corrosive nature, which is characteristic of sulfonic acids. While it doesn't carry specific GHS pictograms or signal words, proper handling procedures should always be followed due to the acidic properties of the sulfonic group. Like other aromatic compounds containing electron-withdrawing substituents, it demonstrates enhanced stability compared to simpler aromatic systems, though it requires careful storage to prevent degradation. In industrial applications, 3-nitrobenzenesulfonic acid serves primarily as an intermediate in the production of dyes, pharmaceuticals, and specialty chemicals. It is commonly used in the synthesis of sulfonamide derivatives and as a building block for more complex aromatic compounds. The compound also finds application in analytical chemistry as a derivatizing agent. Its reactivity profile differs from related compounds such as benzene-1,4-dicarbonyl chloride, which serves similar synthetic purposes but with different functional group chemistry. OYSI maintains reliable supply chains for 3-nitrobenzenesulfonic acid to support diverse industrial applications across Europe.

Safety & Classification

No Hazard Classification

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

Transport (ADR)

UN Number2305
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name3-Nitrobenzensulfonsäure, fest
Marine PollutantNo

Frequently Asked Questions

What is 3-nitrobenzenesulfonic acid?

3-nitrobenzenesulfonic acid is an aromatic organic compound with the molecular formula C6H5NO5S and CAS number 98-47-5. This chemical features both nitro (-NO2) and sulfonic acid (-SO3H) functional groups attached to a benzene ring at the meta position. With a molecular weight of 203.17 g/mol, it serves as an important intermediate in organic synthesis and industrial chemical processes.

What are the physicochemical properties of 3-nitrobenzenesulfonic acid?

3-nitrobenzenesulfonic acid is typically a crystalline solid at room temperature, appearing as pale yellow to light brown crystals or powder. The compound is highly polar due to its sulfonic acid group, making it readily soluble in water and polar solvents. It exhibits strong acidic properties and can form stable salts with bases. The presence of both electron-withdrawing groups affects its reactivity and stability under various conditions.

What is 3-nitrobenzenesulfonic acid used for?

3-nitrobenzenesulfonic acid is primarily used as an intermediate in the synthesis of dyes, pharmaceuticals, and specialty chemicals. It serves as a precursor for manufacturing various sulfonated aromatic compounds and can be employed in the production of optical brighteners and colorants. The compound is also utilized in organic synthesis reactions where selective functionalization of aromatic rings is required, particularly in pharmaceutical and agrochemical industries.

How to handle 3-nitrobenzenesulfonic acid safely?

3-nitrobenzenesulfonic acid should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety glasses, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation of dust or vapors. Use non-sparking tools and avoid contact with skin and eyes. Ensure proper training on chemical handling procedures and maintain safety data sheets readily accessible.

How to store 3-nitrobenzenesulfonic acid correctly?

3-nitrobenzenesulfonic acid should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong bases, oxidizing agents, and metals. Use appropriate secondary containment and ensure storage areas comply with local chemical storage regulations and fire safety requirements.

What to do in case of contact with 3-nitrobenzenesulfonic acid?

In case of skin contact with 3-nitrobenzenesulfonic acid, immediately remove contaminated clothing and rinse affected areas thoroughly with plenty of water for at least 15 minutes. For eye contact, flush eyes with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if large amounts were involved. Never induce vomiting if ingested.

How to dispose of 3-nitrobenzenesulfonic acid properly?

3-nitrobenzenesulfonic acid must be disposed of according to local, national, and international waste regulations as a chemical waste. Contact licensed waste management companies for proper collection and treatment. Do not discharge into drains, waterways, or soil. Small laboratory quantities may require neutralization before disposal, but this should only be done by trained personnel following established protocols and regulatory requirements.

How to transport 3-nitrobenzenesulfonic acid?

3-nitrobenzenesulfonic acid is classified under ADR Class 8 (Corrosive substances), Packing Group II, indicating it requires specific transport regulations for dangerous goods. Packages must be properly labeled, marked, and use approved packaging specifications. Transport vehicles need appropriate placarding and documentation. Only trained personnel should handle shipments, and emergency response information must accompany the transport documentation according to ADR requirements.

Is 3-nitrobenzenesulfonic acid subject to specific regulations?

3-nitrobenzenesulfonic acid is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification obligations. While not listed as a SVHC (Substance of Very High Concern), it must comply with general chemical safety regulations, occupational health standards, and environmental protection laws. Users must maintain safety data sheets, conduct risk assessments, and implement appropriate control measures according to applicable legislation.

Where to buy 3-nitrobenzenesulfonic acid in Europe?

3-nitrobenzenesulfonic acid is available through OYSI, a European distributor of technical chemicals serving industrial and professional customers across Europe. OYSI provides quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, specifications, packaging options, and delivery arrangements to meet your specific industrial or research requirements throughout European markets.

Data Sources

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