Benzenethiol

C6H6S

benzenethiol

CAS108-98-5

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Identification

CAS Number
108-98-5
EC Number
203-635-3
UN Number
2337
PubChem CID
7969

Physical-chemical properties

Molecular Formula
C6H6S
Molar Mass
110.18 g/mol
IUPAC Name
benzenethiol

Chemical Identifiers

InChI
InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChI Key
RMVRSNDYEFQCLF-UHFFFAOYSA-N

Overview

Benzenethiol (CAS 108-98-5) is an aromatic thiol compound characterized by its distinctive sulfur functionality and strong odor properties. This organic sulfur compound, also known as thiophenol, represents a fundamental member of the aromatic thiol family with significant industrial relevance. Benzenethiol features a benzene ring directly bonded to a sulfhydryl (-SH) group, creating a molecule that combines the stability of aromatic systems with the reactive properties of thiols. The compound exhibits a molecular weight of 110.18 g/mol and maintains the characteristic chemical behavior associated with both aromatic compounds and sulfur-containing molecules. The substance displays typical thiol reactivity, including the ability to form disulfide bonds and participate in various nucleophilic reactions. Its aromatic nature provides additional stability compared to aliphatic thiols, while the sulfur atom serves as an active site for chemical transformations. Benzenethiol demonstrates moderate volatility and possesses an intensely unpleasant odor characteristic of thiol compounds, requiring appropriate handling procedures in industrial environments. Safety considerations include its classification under ADR Class 6.1, indicating toxic properties that necessitate proper protective equipment and ventilation during handling. The compound requires storage in cool, dry conditions away from oxidizing agents and strong bases. Industrial applications of benzenethiol include its use as an intermediate in pharmaceutical synthesis, as a building block for specialty chemicals, and in the production of various sulfur-containing compounds. The substance also finds application in research and development activities, particularly in areas involving thiol chemistry. Like other aromatic compounds such as 4-nitroaniline and 4-nitrophenol, benzenethiol serves as a valuable synthetic intermediate in organic chemistry applications. OYSI provides benzenethiol to European industrial customers with comprehensive technical documentation and regulatory compliance support.

Safety & Classification

No Hazard Classification

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

Transport (ADR)

UN Number2337
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NamePhenylmercaptan
Marine PollutantNo

Frequently Asked Questions

What is benzenethiol?

Benzenethiol is an organosulfur compound with the molecular formula C6H6S and CAS number 108-98-5. It consists of a benzene ring with a thiol (-SH) functional group attached, making it the simplest aromatic thiol. With a molecular weight of 110.18 g/mol, benzenethiol is characterized by its strong, unpleasant odor typical of sulfur compounds and serves as an important intermediate in organic synthesis and industrial applications.

What are the physicochemical properties of benzenethiol?

Benzenethiol is a colorless to pale yellow liquid at room temperature with a characteristic strong, penetrating odor reminiscent of garlic or sulfur. It has limited solubility in water due to its aromatic nature but is miscible with organic solvents such as ethanol, ether, and benzene. The compound has a boiling point around 169°C and exhibits typical thiol reactivity, including susceptibility to oxidation and metal coordination.

What is benzenethiol used for?

Benzenethiol serves as a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. It is used in the manufacture of antioxidants, rubber accelerators, and metal flotation agents. The compound also finds applications in polymer chemistry as a chain transfer agent and in the synthesis of various organosulfur compounds. Additionally, it serves as a precursor for preparing other aromatic thiols and sulfur-containing heterocycles.

How to handle benzenethiol safely?

Benzenethiol requires careful handling due to its strong odor and potential toxicity. Operators must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods to prevent inhalation exposure. Avoid contact with skin, eyes, and clothing. Keep away from heat sources, sparks, and oxidizing agents. Ensure emergency eyewash stations and safety showers are readily accessible in work areas.

How to store benzenethiol correctly?

Benzenethiol must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat, sparks, and direct sunlight. Keep separate from oxidizing agents, acids, and bases to prevent unwanted reactions. Storage areas should be equipped with appropriate spill containment measures and maintained at temperatures below 25°C. Use inert atmosphere storage when possible to prevent oxidation. Containers should be made of compatible materials such as stainless steel or specially treated glass.

What to do in case of contact with benzenethiol?

Immediate action is required upon contact with benzenethiol. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move the person to fresh air immediately and seek medical help if breathing difficulties occur. For ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of benzenethiol properly?

Benzenethiol disposal must comply with local and national hazardous waste regulations due to its classification as toxic material. The compound should be collected in appropriate containers and disposed of through licensed hazardous waste treatment facilities. Small quantities may be treated through controlled incineration at high temperatures with adequate scrubbing systems. Never dispose of benzenethiol down drains or in regular waste streams. Consult with waste management specialists for proper disposal protocols and documentation requirements.

How to transport benzenethiol?

Benzenethiol is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity and requiring strict transport protocols. Shipments must use UN-approved packaging and proper hazard labeling including toxic substance markings. Transport vehicles require appropriate safety equipment and emergency response information. Drivers must hold valid dangerous goods transport certification. Shipping documentation must include proper shipping names, UN numbers, and emergency contact information for regulatory compliance.

Is benzenethiol subject to specific regulations?

Benzenethiol is subject to various chemical regulations including REACH registration requirements in Europe for commercial use. While not classified as an SVHC (Substance of Very High Concern), it falls under standard CLP classification and labeling regulations. Users must comply with occupational exposure limits and workplace safety requirements. Import/export may require specific permits depending on quantities and end-use applications. Always verify current regulatory status with competent authorities before commercial activities.

Where to buy benzenethiol in Europe?

Benzenethiol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides reliable supply chains for organosulfur compounds including benzenethiol with appropriate documentation and regulatory compliance support. For procurement inquiries, technical specifications, and delivery arrangements, contact OYSI directly through their European distribution network. They ensure proper handling, packaging, and transport of hazardous chemicals according to ADR and other applicable regulations.

Data Sources

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