(4-chlorophenyl) benzenesulfonate

C12H9ClO3S

CAS80-38-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 aromatic sulfonate ester compound with chlorinated phenyl functionality and moderate toxicity properties. This organic compound, also known by its EC number 201-274-6, represents a specialized sulfonate ester with a molecular formula of C12H9ClO3S and molecular weight of 268.72 g/mol. The structure features a benzenesulfonate group attached to a 4-chlorophenyl moiety, creating a compound with distinct chemical and physical properties that make it valuable in various industrial applications. From a safety perspective, (4-chlorophenyl) benzenesulfonate is classified under multiple hazard categories including Acute Toxicity Category 4, Eye Irritation Category 2, and Aquatic Chronic Toxicity Category 2. The compound carries a Warning signal word and requires GHS07 and GHS09 pictograms on safety labeling. Its ADR classification as Class 9 indicates it falls under miscellaneous dangerous substances for transport purposes, necessitating proper handling protocols and storage conditions. The compound finds applications in several industrial sectors, primarily as an intermediate in organic synthesis and as a specialty chemical in pharmaceutical manufacturing processes. It also serves as a reagent in chemical research and development, particularly in projects involving sulfonate chemistry. Unlike simpler compounds such as triphenyl phosphite, this chlorinated sulfonate offers enhanced reactivity patterns due to its electron-withdrawing chlorine substituent. Industrial users appreciate its stability under standard storage conditions while maintaining sufficient reactivity for synthetic transformations. The presence of both sulfonate and chlorinated aromatic functionalities makes it particularly useful in multi-step synthetic routes where selective reactivity is required. OYSI maintains reliable supply chains for (4-chlorophenyl) benzenesulfonate to support European chemical industry requirements.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Eye Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H319

Causes serious eye irritation.

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

Eye Contact

Irritant

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

Harmful

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFenson (ISO)
Marine PollutantNo

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 sulfonate ester has a molecular weight of 268.72 g/mol and consists of a benzenesulfonic acid group attached to a 4-chlorophenyl moiety. It is classified as a moderately hazardous substance with acute toxicity properties and potential for eye irritation, requiring careful handling in industrial applications.

What are the physicochemical properties of (4-chlorophenyl) benzenesulfonate?

(4-chlorophenyl) benzenesulfonate is a solid organic compound at room temperature with a molecular weight of 268.72 g/mol. As a sulfonate ester containing both aromatic rings and a chlorine substituent, it typically exhibits limited water solubility but good solubility in organic solvents. The presence of the sulfonate group contributes to its chemical reactivity, while the chlorophenyl structure provides stability and specific binding properties for various applications.

What is (4-chlorophenyl) benzenesulfonate used for?

(4-chlorophenyl) benzenesulfonate serves as an important intermediate in organic synthesis and pharmaceutical manufacturing. This compound is commonly used in the production of specialty chemicals, as a reagent in chemical research, and as a building block for more complex molecular structures. Its sulfonate ester functionality makes it valuable for reactions requiring good leaving groups, particularly in nucleophilic substitution reactions and pharmaceutical synthesis pathways.

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 to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The Warning signal word indicates moderate hazard level, but proper safety protocols must be strictly followed during handling and processing operations.

How to store (4-chlorophenyl) benzenesulfonate correctly?

(4-chlorophenyl) benzenesulfonate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from incompatible materials. Keep containers protected from moisture and direct sunlight to prevent degradation. Storage areas should be equipped with appropriate spill containment measures due to its environmental hazard classification (Aquatic Chronic 2). Maintain proper inventory management and ensure containers are properly labeled with hazard information and safety precautions.

What to do in case of contact with (4-chlorophenyl) benzenesulfonate?

Immediate action is required following contact with (4-chlorophenyl) benzenesulfonate due to its eye irritant and acute toxicity properties. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention. If skin contact occurs, wash thoroughly with soap and water. In case of inhalation, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always have safety data sheets readily available.

How to dispose of (4-chlorophenyl) benzenesulfonate properly?

(4-chlorophenyl) benzenesulfonate must be disposed of through licensed hazardous waste contractors in accordance with local, national, and EU waste regulations. Due to its environmental hazard classification (Aquatic Chronic 2), it cannot be discharged into water systems or sewers. Incineration at authorized high-temperature facilities is typically the preferred disposal method. Always consult the safety data sheet and local environmental authorities for specific disposal requirements and approved waste handling procedures.

How to transport (4-chlorophenyl) benzenesulfonate?

(4-chlorophenyl) benzenesulfonate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it presents a relatively lower degree of danger during transport. Packages must be properly labeled with appropriate hazard markings and comply with UN packaging requirements. Transport vehicles should carry appropriate emergency equipment and documentation. Drivers must hold valid ADR certification for Class 9 materials, and shipments must follow established dangerous goods transport regulations.

Is (4-chlorophenyl) benzenesulfonate subject to specific regulations?

(4-chlorophenyl) benzenesulfonate is subject to EU REACH regulation requiring registration for commercial use and CLP regulation for classification and labeling with GHS07 and GHS09 pictograms. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must maintain safety data sheets, implement risk management measures, and ensure proper worker training. National chemical regulations may impose additional requirements for handling, storage, and reporting of this moderately hazardous substance.

Where to buy (4-chlorophenyl) benzenesulfonate in Europe?

(4-chlorophenyl) benzenesulfonate is available through OYSI, a specialized European distributor of technical chemicals and laboratory reagents. OYSI provides this compound with full regulatory compliance, including proper documentation, safety data sheets, and appropriate packaging for safe transport. As an established chemical distributor, OYSI ensures product quality, regulatory compliance, and reliable supply chains across European markets for industrial and research applications requiring this specialized sulfonate ester.

Data Sources

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