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 carbamate compound with selective biological activity and environmental persistence characteristics. This specialized chemical compound, also known by its systematic IUPAC nomenclature, represents a unique class of carbamothioate derivatives featuring a chlorinated benzyl moiety linked to a diethylcarbamate group through a sulfur bridge. With a molecular formula of C12H16ClNOS and molecular weight of 257.78 g/mol, this substance exhibits distinct physicochemical properties that make it valuable for specific industrial applications. The compound's molecular structure incorporates both aromatic and aliphatic components, with the 4-chlorophenyl group providing stability and the N,N-diethylcarbamothioate moiety contributing to its biological activity profile. This structural arrangement is somewhat analogous to other bioactive compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, which also features diethyl substitution patterns in agricultural chemistry applications. From a safety perspective, S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is classified under acute toxicity category 4 with aquatic toxicity classifications for both acute and chronic environmental effects. The compound requires careful handling protocols, indicated by GHS pictograms GHS07 and GHS09, and carries a "Warning" signal word. Transportation falls under ADR class 9, designating it as a miscellaneous dangerous substance. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty agricultural formulations, and research applications requiring selective biological activity. The compound's unique thiocarbamate functionality makes it particularly suitable for applications where controlled reactivity is essential. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality carbamothioate derivatives.
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 chemical compound with the molecular formula C12H16ClNOS and CAS number 28249-77-6. This carbamothioate derivative features a chlorinated benzyl group attached to a sulfur atom, which is further connected to a diethylcarbamate moiety. With a molecular weight of 257.78 g/mol, it belongs to the class of thiocarbamate compounds and exhibits moderate acute toxicity and significant environmental hazard properties.
What are the physicochemical properties of S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is typically a solid compound at room temperature with characteristic properties of thiocarbamate derivatives. As an organic compound containing both polar and nonpolar functional groups, it likely exhibits moderate solubility in organic solvents and limited water solubility. The presence of the chlorophenyl group contributes to its stability and influences its physical properties, though specific data on color, odor, and exact solubility parameters require analytical characterization.
What is S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate used for?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is primarily used as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Thiocarbamate compounds like this are valuable building blocks for developing agrochemicals, pharmaceuticals, and other fine chemicals. Its unique structure makes it suitable for applications requiring specific reactivity patterns, particularly in medicinal chemistry research and the synthesis of biologically active compounds where the carbamothioate functionality is essential.
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 Tox. 4 classification and environmental hazards. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection when handling powders. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper containment to prevent environmental release given its aquatic toxicity classification.
How to store S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate correctly?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate should be stored in tightly sealed, original containers in a cool, dry, and well-ventilated area away from incompatible materials. Keep containers away from heat sources, direct sunlight, and moisture to maintain product stability. Due to its environmental hazard classification, storage areas must have appropriate containment measures to prevent accidental release. Segregate from strong oxidizing agents and bases, and ensure storage locations comply with local chemical storage regulations.
What to do in case of contact with S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate?
In case of skin contact with S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate, 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 clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete emergency procedures.
How to dispose of S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate appropriately?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate must be disposed of as hazardous waste through licensed waste management companies due to its toxicity and environmental hazard classifications. Never dispose of this substance through regular waste streams or pour down drains due to its aquatic toxicity. Contaminated packaging should also be treated as hazardous waste. Disposal must comply with local, national, and European waste regulations, including proper documentation and tracking through authorized waste disposal channels.
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 Substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Packages must display appropriate hazard labels including GHS07 and GHS09 pictograms with 'Warning' signal word. Transportation must comply with ADR/RID regulations for road/rail transport and IMDG/IATA codes for sea/air transport respectively.
Is S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate subject to specific regulations?
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate is subject to European REACH and CLP regulations requiring appropriate registration, classification, and labeling. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with standard chemical safety requirements including safety data sheet provision and hazard communication. Its Acute Tox. 4 and aquatic hazard classifications trigger specific handling, storage, and disposal obligations under various European and national chemical safety regulations.
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 serving research institutions and industrial customers. OYSI provides this compound with complete regulatory documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation compliance for delivery across Europe, supporting customers with technical expertise and regulatory guidance for safe handling and use.
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.