S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
C12H16ClNOS
Consulting for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 28249-77-6
- EC Number
- 248-924-5
- UN Number
- 3082
- Index Number
- 006-063-00-0
- PubChem CID
- 34192
Physical-chemical properties
- Molecular Formula
- C12H16ClNOS
- Molar Mass
- 257.78 g/mol
- IUPAC Name
- S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Chemical Identifiers
- InChI
- InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
- InChI Key
- QHTQREMOGMZHJV-UHFFFAOYSA-N
Overview
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate (CAS 28249-77-6) is an organosulfur carbamothioate compound with selective biological activity and industrial chemical applications. This specialized chemical compound, registered under EC number 248-924-5, belongs to the carbamothioate family of organic molecules characterized by the presence of both sulfur and nitrogen functional groups. With a molecular formula of C12H16ClNOS and a molecular weight of 257.78 g/mol, this substance exhibits a distinctive chemical structure featuring a 4-chlorophenylmethyl group attached to a diethylcarbamothioate moiety. The compound shares certain structural similarities with other nitrogen-sulfur containing chemicals such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, though each maintains distinct chemical properties and applications. From a safety perspective, S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is classified under GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental concerns. The substance carries an Acute Toxicity Category 4 classification with a "Warning" signal word, requiring appropriate handling protocols. Its environmental classification includes both Aquatic Acute 1 and Aquatic Chronic 1 categories, emphasizing the need for careful environmental management. Transport regulations classify this material under ADR Class 9, designating it as a miscellaneous dangerous substance. Industrial applications of this carbamothioate derivative typically include use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes. The compound's unique structural features make it valuable in applications requiring selective reactivity patterns. OYSI maintains reliable supply chains for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
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
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Thiobencarb (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is an organosulfur compound with the molecular formula C12H16ClNOS and CAS number 28249-77-6. This chemical substance has a molecular weight of 257.78 g/mol and belongs to the carbamothioate family. It is classified as acutely toxic (category 4) and poses significant environmental hazards to aquatic life, both for acute and chronic exposure.
What are the physicochemical properties of S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is a synthetic organic compound containing chlorine, nitrogen, oxygen, and sulfur atoms. With its molecular formula C12H16ClNOS, it typically appears as a solid or liquid depending on temperature conditions. The presence of the chlorophenyl group and carbamothioate structure influences its solubility characteristics and chemical stability under various environmental conditions.
What is S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate used for?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is primarily used as an intermediate in chemical synthesis and pharmaceutical research. Its carbamothioate structure makes it valuable for developing various organic compounds and potential bioactive molecules. The compound serves as a building block in specialized chemical manufacturing processes where its unique molecular properties are required for specific synthetic pathways.
How to handle S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate safely?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate requires careful handling due to its acute toxicity classification (category 4). Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure emergency procedures are readily accessible.
How to store S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate correctly?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. Given its environmental hazard classification, storage areas must be designed to prevent accidental release into the environment. The storage facility should comply with local chemical storage regulations and include appropriate spill containment measures.
What to do in case of contact with S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
Immediate action is required upon contact with S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate due to its acute toxicity. For skin contact, immediately remove contaminated clothing and wash the affected area with plenty of soap and water. In case of eye contact, rinse thoroughly with clean water for at least 15 minutes. If ingested or inhaled, seek immediate medical attention and provide the safety data sheet to medical personnel.
How to dispose of S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate properly?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate must be disposed of as hazardous waste due to its toxicity and environmental impact classifications. Disposal should only be conducted by licensed hazardous waste management companies in accordance with local and European waste regulations. The compound requires special handling to prevent environmental contamination, particularly to protect aquatic ecosystems from both acute and chronic exposure effects.
How to transport S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is classified as ADR Class 9 (miscellaneous dangerous goods) with Packing Group III. Transportation requires compliance with international dangerous goods regulations, including proper packaging, labeling with GHS07 and GHS09 pictograms, and appropriate shipping documentation. The Warning signal word must be clearly displayed, and transport vehicles must meet ADR requirements for Class 9 substances.
Is S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate subject to specific regulations?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is subject to European CLP regulation requiring GHS classification and labeling due to its acute toxicity and environmental hazards. While not currently listed as a Substance of Very High Concern (SVHC), it falls under REACH registration requirements. Users must comply with workplace safety regulations and environmental protection measures, particularly regarding aquatic environment protection due to its high environmental hazard classification.
Where to buy S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate in Europe?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, including proper documentation, safety data sheets, and adherence to European chemical regulations. As a professional chemical supplier, OYSI ensures quality standards and regulatory compliance for laboratory and industrial applications across European markets.
Services for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Order S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Technical Consulting
Application advice for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.