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, which are important intermediates in various industrial chemical processes. The molecule consists of a benzene ring substituted with a nitro group (-NO2) at the meta position and a sulfonic acid group (-SO3H), giving it unique reactivity patterns that make it valuable in synthetic chemistry applications. With a molecular formula of C6H5NO5S and molecular weight of 203.17 g/mol, 3-nitrobenzenesulfonic acid exhibits the characteristic properties of both aromatic nitro compounds and sulfonic acids. The presence of the electron-withdrawing nitro group significantly influences the compound's chemical behavior, affecting both its acidity and reactivity in electrophilic and nucleophilic reactions. The sulfonic acid functionality provides excellent water solubility and strong acidic properties, making it suitable for various aqueous-phase reactions. Safety considerations for handling this compound include its classification under ADR Class 8, indicating its corrosive nature. Proper personal protective equipment and adequate ventilation are essential when working with this material, as with other aromatic compounds in this category. Industrial applications of 3-nitrobenzenesulfonic acid include its use as an intermediate in the synthesis of dyes, pharmaceuticals, and specialty chemicals. It serves as a precursor in the manufacture of various sulfonamide derivatives and finds application in the production of optical brightening agents. The compound is also utilized in analytical chemistry and as a reagent in organic synthesis, similar to how other aromatic acid chlorides like 4-methoxybenzoyl chloride are employed in acylation reactions. OYSI maintains reliable supply chains for 3-nitrobenzenesulfonic acid to support European industrial customers' technical chemical requirements.

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 a nitro group (-NO2) and a sulfonic acid group (-SO3H) attached to a benzene ring in meta positions. With a molecular weight of 203.17 g/mol, it belongs to the class of nitrobenzenesulfonic acids and serves as an important intermediate in organic synthesis and industrial chemical processes.

What are the physicochemical properties of 3-nitrobenzenesulfonic acid?

3-nitrobenzenesulfonic acid typically appears as a yellowish to light brown crystalline solid at room temperature. The compound is highly soluble in water due to its sulfonic acid group, which makes it a strong acid. It exhibits hygroscopic properties, meaning it readily absorbs moisture from air. The presence of both electron-withdrawing nitro and sulfonic acid groups significantly affects its reactivity and solubility characteristics in various solvents.

What is 3-nitrobenzenesulfonic acid used for?

3-nitrobenzenesulfonic acid is primarily used as an intermediate in the synthesis of dyes, pigments, and pharmaceutical compounds. It serves as a key building block in the production of various aromatic compounds through reduction, substitution, and coupling reactions. The compound is also utilized in the manufacture of optical brighteners, specialty chemicals, and as a precursor for producing 3-aminobenzenesulfonic acid (metanilic acid), which is important in dye chemistry.

How to handle 3-nitrobenzenesulfonic acid safely?

3-nitrobenzenesulfonic acid should be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation of dust or vapors. Avoid direct skin and eye contact, as the compound can cause irritation. Use non-sparking tools and equipment, and ensure proper grounding when handling to prevent static electricity buildup during transfer operations.

How to store 3-nitrobenzenesulfonic acid correctly?

3-nitrobenzenesulfonic acid should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption due to its hygroscopic nature. Store away from incompatible materials such as strong bases, reducing agents, and metals. Use appropriate secondary containment and ensure storage areas are equipped with spill control measures. Regular inspection of container integrity is recommended.

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 flush the affected area with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with water for several minutes and remove contact lenses if present. If inhaled, move the person to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician after any significant exposure.

How to dispose of 3-nitrobenzenesulfonic acid properly?

3-nitrobenzenesulfonic acid must be disposed of in accordance with local, national, and international waste regulations. The compound should not be discharged into sewers or waterways. Contact licensed waste disposal companies for proper treatment and disposal. Small quantities may be neutralized carefully under controlled conditions before disposal, but this should only be done by trained personnel. Always consult local environmental authorities for specific disposal requirements in your region.

How to transport 3-nitrobenzenesulfonic acid?

3-nitrobenzenesulfonic acid is classified under ADR Class 8 (Corrosive substances), Packing Group II. Transport requires appropriate UN-approved packaging and proper labeling with corrosive hazard markings. Vehicles must carry appropriate emergency equipment and documentation. Drivers need ADR training certification for Class 8 materials. Ensure packages are properly secured to prevent damage during transit and follow all applicable dangerous goods transportation regulations for road, rail, or sea transport.

Is 3-nitrobenzenesulfonic acid subject to particular regulations?

3-nitrobenzenesulfonic acid is subject to REACH regulation in the European Union, requiring registration for manufacturing or importing quantities above specified thresholds. The compound must comply with CLP regulation for classification, labeling, and packaging. It is not currently listed as a Substance of Very High Concern (SVHC). Users must follow standard chemical safety regulations, maintain safety data sheets, and implement appropriate risk management measures according to local and international chemical legislation.

Where to buy 3-nitrobenzenesulfonic acid in Europe?

3-nitrobenzenesulfonic acid is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides high-quality chemical products to industrial customers across Europe with reliable supply chain management. As a professional chemical distributor, OYSI ensures compliance with all relevant European regulations including REACH and ADR requirements. Contact OYSI directly for specific product specifications, availability, packaging options, and technical support for your application requirements.

Data Sources

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