(4-chlorophenyl) 4-chlorobenzenesulfonate

C12H8Cl2O3S

CAS80-33-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
80-33-1
EC Number
201-270-4
UN Number
3077
Index Number
607-156-00-4
PubChem CID
6635

Physical-chemical properties

Molecular Formula
C12H8Cl2O3S
Molar Mass
303.20 g/mol
IUPAC Name
(4-chlorophenyl) 4-chlorobenzenesulfonate

Chemical Identifiers

InChI
InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
InChI Key
RZXLPPRPEOUENN-UHFFFAOYSA-N

Overview

(4-chlorophenyl) 4-chlorobenzenesulfonate (CAS 80-33-1) is an organosulfur compound with chlorinated aromatic rings and sulfonate ester functionality. This chemical compound represents a specialized sulfonate ester featuring two chlorinated benzene rings connected through a sulfonate bridge. With its molecular formula C12H8Cl2O3S and molecular weight of 303.2 g/mol, this substance exhibits unique chemical properties that make it valuable in various industrial applications. The presence of chlorine substituents on both aromatic rings enhances its stability and modifies its reactivity profile compared to non-halogenated analogs. From a safety perspective, (4-chlorophenyl) 4-chlorobenzenesulfonate is classified as Acute Tox. 4, indicating moderate acute toxicity, and Skin Irrit. 2, requiring careful handling to prevent skin contact. The compound also carries aquatic toxicity classifications (Aquatic Acute 1 and Aquatic Chronic 1), necessitating strict environmental controls during use and disposal. These properties are somewhat similar to other chlorinated aromatics like 1,2,4-trichlorobenzene, which also requires careful environmental consideration. The compound finds primary applications in chemical synthesis as an intermediate, particularly in pharmaceutical and agrochemical manufacturing where its unique sulfonate ester structure provides specific reactivity patterns. It also serves as a specialty reagent in organic synthesis reactions and as a building block for more complex molecular structures. Additionally, its properties make it suitable for certain industrial processes requiring stable chlorinated aromatic compounds. OYSI maintains reliable supply chains for (4-chlorophenyl) 4-chlorobenzenesulfonate, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

H400

Very toxic to aquatic life.

H410

Very 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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +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 NameChlorfenson (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (4-chlorophenyl) 4-chlorobenzenesulfonate?

(4-chlorophenyl) 4-chlorobenzenesulfonate is an organic chemical compound with the molecular formula C12H8Cl2O3S and CAS number 80-33-1. This sulfonate ester has a molecular weight of 303.2 g/mol and contains two chlorinated benzene rings connected by a sulfonate linkage. It belongs to the class of aromatic sulfonates and is classified as a hazardous substance requiring proper handling precautions due to its toxicity and environmental impact potential.

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

(4-chlorophenyl) 4-chlorobenzenesulfonate is typically a solid crystalline compound at room temperature with limited water solubility due to its aromatic chlorinated structure. The presence of two chlorine atoms and the sulfonate group influences its polarity and chemical reactivity. Its molecular structure consists of two para-chlorinated benzene rings linked by a sulfonate ester bond, giving it specific thermal and chemical stability characteristics typical of chlorinated aromatic compounds.

What is (4-chlorophenyl) 4-chlorobenzenesulfonate used for?

(4-chlorophenyl) 4-chlorobenzenesulfonate is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a building block for the production of various chemical compounds, particularly in the development of active pharmaceutical ingredients and specialty chemicals. The compound may also find applications in research and development activities where chlorinated aromatic sulfonates are required as starting materials or reagents in complex synthetic pathways.

How to handle (4-chlorophenyl) 4-chlorobenzenesulfonate safely?

(4-chlorophenyl) 4-chlorobenzenesulfonate must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 and Skin Irrit. 2 classifications. Work should be conducted in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid direct skin contact and ensure proper hand washing after handling. Emergency shower and eyewash stations should be readily accessible in work areas.

How to store (4-chlorophenyl) 4-chlorobenzenesulfonate correctly?

(4-chlorophenyl) 4-chlorobenzenesulfonate should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and protected from moisture and direct sunlight. Storage areas should be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Ensure storage complies with local environmental regulations and maintain proper inventory records. Store away from oxidizing agents and strong bases to prevent unwanted reactions.

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

In case of skin contact with (4-chlorophenyl) 4-chlorobenzenesulfonate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of (4-chlorophenyl) 4-chlorobenzenesulfonate appropriately?

(4-chlorophenyl) 4-chlorobenzenesulfonate must be disposed of as hazardous waste through licensed waste management companies due to its environmental toxicity classifications (Aquatic Acute 1, Aquatic Chronic 1). Do not discharge to sewers, waterways, or soil. Incineration at high temperatures in authorized facilities is typically the preferred disposal method for chlorinated organic compounds. Consult local environmental regulations and waste disposal authorities for specific requirements and approved disposal facilities in your area.

How to transport (4-chlorophenyl) 4-chlorobenzenesulfonate?

(4-chlorophenyl) 4-chlorobenzenesulfonate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. It must be packaged in approved UN-specification containers with proper labeling including GHS07 and GHS09 pictograms and 'Warning' signal word. Transport documentation must include the correct shipping name, UN number, and hazard class. Ensure compliance with ADR regulations for loading, segregation, and vehicle requirements during transportation.

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

(4-chlorophenyl) 4-chlorobenzenesulfonate is subject to European REACH regulation requiring registration for manufacture or import above certain tonnages. It falls under CLP regulation for classification, labeling, and packaging requirements with mandatory GHS pictograms (GHS07, GHS09) and 'Warning' signal word. The substance is not currently identified as SVHC (Substance of Very High Concern). Companies must comply with occupational exposure limits and environmental discharge restrictions based on its toxicity profile.

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

(4-chlorophenyl) 4-chlorobenzenesulfonate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory documentation, safety data sheets, and certificates of analysis to ensure compliance with European standards. As a professional chemical supplier, OYSI serves industrial customers, research institutions, and pharmaceutical companies across Europe with reliable supply chains and technical support for specialty chemical requirements.

Data Sources

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