(4-chlorophenyl) benzenesulfonate
C12H9ClO3S
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Identification
- CAS Number
- 80-38-6
- EC Number
- 201-274-6
- UN Number
- 3077
- Index Number
- 650-003-00-1
- PubChem CID
- 6636
Physical-chemical properties
- Molecular Formula
- C12H9ClO3S
- Molar Mass
- 268.72 g/mol
- IUPAC Name
- (4-chlorophenyl) benzenesulfonate
Chemical Identifiers
- InChI
- InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
- InChI Key
- SPJOZZSIXXJYBT-UHFFFAOYSA-N
Overview
(4-chlorophenyl) benzenesulfonate (CAS 80-38-6) is an organosulfur ester compound with chlorinated aromatic functionality and moderate toxicity classification. This chemical substance, also identified by EC number 201-274-6, represents a specialized aromatic sulfonate ester with molecular formula C12H9ClO3S and molecular weight 268.72 g/mol. The compound features a distinctive structure combining a chlorinated phenyl ring with a benzenesulfonate group, providing unique chemical properties that make it valuable in various industrial applications. From a safety perspective, (4-chlorophenyl) benzenesulfonate is classified under GHS with warning-level hazards including acute toxicity category 4, eye irritation category 2, and aquatic chronic toxicity category 2. The substance requires careful handling protocols due to its GHS07 and GHS09 pictogram classifications, and falls under ADR class 9 for transportation purposes. These safety considerations are typical for organosulfur compounds in this category, similar to other specialized chemicals like triphenyl phosphite, which also requires careful handling in industrial settings. The compound finds primary applications in organic synthesis as an intermediate, particularly in pharmaceutical and agrochemical manufacturing where its sulfonate ester functionality provides specific reactivity patterns. Additionally, it serves as a specialty chemical in materials science applications and as a reagent in advanced chemical research. Its chlorinated aromatic structure makes it particularly useful in processes requiring selective chemical transformations. Industrial users value this compound for its stability under controlled conditions and its predictable reactivity profile, making it suitable for scaled manufacturing processes. OYSI maintains reliable supply chains for (4-chlorophenyl) benzenesulfonate to support European industrial customers' technical chemical requirements.
Safety & Classification
Acute Tox. 4 *; Eye Irrit. 2; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fenson (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (4-chlorophenyl) benzenesulfonate?
(4-chlorophenyl) benzenesulfonate is an organic chemical compound with the molecular formula C12H9ClO3S and CAS number 80-38-6. This substance belongs to the class of aromatic sulfonates, featuring a benzene ring substituted with a chlorine atom at the para position, linked to a benzenesulfonate group. With a molecular weight of 268.72 g/mol, it is classified as moderately hazardous with warning-level toxicity and environmental concerns.
What are the physicochemical properties of (4-chlorophenyl) benzenesulfonate?
(4-chlorophenyl) benzenesulfonate typically appears as a solid crystalline material at room temperature. As an aromatic sulfonate ester, it exhibits moderate stability under normal conditions. The compound contains both hydrophobic aromatic rings and a polar sulfonate group, influencing its solubility characteristics. Its molecular structure with chlorine substitution affects its reactivity and physical properties compared to unsubstituted analogues.
What is (4-chlorophenyl) benzenesulfonate used for?
(4-chlorophenyl) benzenesulfonate serves as an important intermediate in organic synthesis and pharmaceutical manufacturing. It is commonly used in the production of specialty chemicals, dyes, and pharmaceutical compounds where sulfonate functionality is required. The compound also finds applications in research laboratories as a chemical reagent and in the development of new materials with specific properties related to its aromatic and sulfonate characteristics.
How to handle (4-chlorophenyl) benzenesulfonate safely?
(4-chlorophenyl) benzenesulfonate requires careful handling due to its Acute Tox. 4 and Eye Irrit. 2 classifications. Essential personal protective equipment includes safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation. Avoid direct skin and eye contact, and prevent inhalation of dust or vapors. Keep away from heat sources and incompatible materials during handling operations.
How to store (4-chlorophenyl) benzenesulfonate correctly?
(4-chlorophenyl) benzenesulfonate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed containers to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers and reducing agents. Maintain storage temperature within recommended ranges and ensure proper labeling with GHS pictograms GHS07 and GHS09 for identification and safety compliance.
What to do in case of contact with (4-chlorophenyl) benzenesulfonate?
In case of skin contact with (4-chlorophenyl) benzenesulfonate, immediately remove contaminated clothing and wash affected area with plenty of water for at least 15 minutes. For eye contact, flush immediately with water for 15-20 minutes and seek medical attention due to its eye irritant properties. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention.
How to dispose of (4-chlorophenyl) benzenesulfonate properly?
(4-chlorophenyl) benzenesulfonate waste must be disposed of according to local, national, and international regulations due to its environmental classification as Aquatic Chronic 2. Contact licensed hazardous waste disposal companies for proper treatment. Do not discharge to sewers, waterways, or soil. Small laboratory quantities may require specific collection procedures. Always consult safety data sheets and local environmental authorities for specific disposal requirements in your region.
How to transport (4-chlorophenyl) benzenesulfonate?
(4-chlorophenyl) benzenesulfonate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation for shipping. Use UN-approved packaging and ensure proper hazard labels are displayed. Transport vehicles must comply with ADR regulations for Class 9 substances. Consult current ADR guidelines and work with certified transport companies familiar with chemical logistics.
Is (4-chlorophenyl) benzenesulfonate subject to specific regulations?
(4-chlorophenyl) benzenesulfonate is subject to REACH regulation for registration, evaluation, and authorization in the European Union. It must comply with CLP regulation for classification, labeling, and packaging requirements. The substance is not currently identified as a Substance of Very High Concern (SVHC). Users must ensure proper safety data sheet availability, worker training, and compliance with occupational exposure limits where established by national authorities.
Where to buy (4-chlorophenyl) benzenesulfonate in Europe?
(4-chlorophenyl) benzenesulfonate is available through OYSI, a leading European distributor of specialty chemicals and technical products. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. Their technical expertise ensures customers receive quality products meeting industry standards. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific requirements and location within Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.