Benzenethiol

C6H6S

benzenethiol

CAS108-98-5

Consulting for Benzenethiol

Our experts support you with application, dosage, and compliance.

Request Consultation

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 consists of a benzene ring directly bonded to a sulfhydryl (-SH) group, giving it unique chemical reactivity compared to other aromatic compounds. The molecule's structure combines the stability of the aromatic system with the nucleophilic properties of the thiol group, making it a versatile intermediate in organic synthesis. The compound exhibits typical thiol characteristics, including a notably strong and persistent odor that requires careful handling in enclosed environments. Its molecular weight of 110.18 g/mol and specific structural features make it particularly useful in applications requiring sulfur-containing aromatic compounds. While sharing some aromatic characteristics with compounds like 4-nitroaniline and 4-nitrophenol, benzenethiol's thiol functionality provides distinct reactivity patterns that set it apart from other benzene derivatives. From a safety perspective, benzenethiol falls under ADR Class 6.1, indicating its toxic properties that necessitate appropriate handling protocols. Industrial users must implement proper ventilation systems and personal protective equipment when working with this substance. The compound's reactivity profile requires storage under inert conditions to prevent oxidation and maintain product integrity. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, where the thiol group serves as a key building block for more complex molecules. It also finds application in polymer chemistry as a chain transfer agent and in the production of specialty chemicals requiring aromatic sulfur functionality. Additionally, benzenethiol serves as a precursor in the synthesis of various organosulfur compounds used in agrochemical formulations. OYSI provides benzenethiol to European industrial customers with comprehensive technical support and regulatory documentation to ensure safe and effective utilization in specialized chemical processes.

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 chemical 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, this colorless to pale yellow liquid is characterized by its strong, unpleasant odor reminiscent of garlic or rotten eggs, which is typical of thiol compounds.

What are the physicochemical properties of benzenethiol?

Benzenethiol is a colorless to pale yellow liquid at room temperature with an extremely strong, penetrating odor. It has a boiling point of approximately 169°C and is slightly soluble in water but readily soluble in organic solvents like ethanol and ether. The compound is sensitive to air oxidation and can form disulfides. Its density is around 1.07 g/cm³, and it exhibits typical aromatic compound characteristics.

What is benzenethiol used for?

Benzenethiol serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. It is used in the production of antioxidants, rubber chemicals, and various sulfur-containing pharmaceuticals. The compound also finds applications in the synthesis of pesticides and as a building block for more complex organosulfur compounds. Additionally, it can be used as a reagent in analytical chemistry and in the preparation of metal complexes.

How to handle benzenethiol safely?

Benzenethiol requires careful handling due to its toxic nature and strong odor. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper grounding to prevent static discharge. Keep away from heat sources, sparks, and open flames as it may be flammable.

How to store benzenethiol correctly?

Benzenethiol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers in secondary containment to prevent spills. Store separately from oxidizing agents, strong bases, and incompatible materials. Maintain storage temperatures below 25°C and ensure proper labeling. Use inert atmosphere storage when possible to prevent oxidation and formation of disulfides.

What to do in case of contact with benzenethiol?

Benzenethiol contact requires immediate action due to its toxic properties. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention if breathing difficulties occur. For eye contact, flush with clean water for 15 minutes. Seek immediate medical attention for any significant exposure and provide safety data sheet information to medical personnel.

How to dispose of benzenethiol appropriately?

Benzenethiol disposal must comply with local and national hazardous waste regulations. Never dispose of this chemical down drains or in regular waste. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities can be neutralized through controlled oxidation to less harmful disulfides under professional supervision. Always consult local environmental authorities for specific disposal requirements and maintain proper documentation of disposal activities.

How to transport benzenethiol?

Benzenethiol is classified under ADR as Class 6.1 (toxic substances), Packing Group I, indicating high toxicity. Transport requires proper UN-approved packaging, appropriate labeling with toxic substance markings, and compliance with dangerous goods regulations. Vehicles must carry proper documentation, emergency response information, and appropriate safety equipment. Only trained personnel should handle transportation, and specific routing restrictions may apply depending on local regulations.

Is benzenethiol subject to particular regulations?

Benzenethiol is subject to various chemical regulations including REACH registration requirements in Europe. As a toxic substance, it falls under CLP regulation for classification, labeling, and packaging. Workplace exposure limits may apply under occupational health regulations. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with local chemical safety regulations and may need permits for industrial use.

Where to buy benzenethiol in Europe?

Benzenethiol is available through specialized chemical distributors across Europe, including OYSI, a trusted European distributor of technical chemicals. As a controlled substance, purchases typically require proper documentation and may be restricted to qualified industrial users. OYSI can provide technical grade benzenethiol with appropriate safety documentation and regulatory compliance support. Contact qualified chemical suppliers directly for availability, specifications, and pricing information for your specific application requirements.

Data Sources

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