S-benzyl N,N-dipropylcarbamothioate
C14H21NOS
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Identification
- CAS Number
- 52888-80-9
- EC Number
- 401-730-6
- UN Number
- 3082
- Index Number
- 006-072-00-X
- PubChem CID
- 62020
Physical-chemical properties
- Molecular Formula
- C14H21NOS
- Molar Mass
- 251.39 g/mol
- IUPAC Name
- S-benzyl N,N-dipropylcarbamothioate
Chemical Identifiers
- InChI
- InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
- InChI Key
- NQLVQOSNDJXLKG-UHFFFAOYSA-N
Overview
S-benzyl N,N-dipropylcarbamothioate (CAS 52888-80-9) is an organosulfur carbamate compound with selective herbicidal properties and moderate environmental persistence. This specialized chemical compound, also identified by EC number 401-730-6, belongs to the carbamothioate family and serves as an important intermediate in agricultural chemistry applications. With its molecular formula C14H21NOS and molecular weight of 251.39 g/mol, S-benzyl N,N-dipropylcarbamothioate exhibits distinctive structural characteristics that contribute to its selective biological activity. The compound features a benzyl thioester group combined with a dipropyl carbamate moiety, creating a molecule with specific herbicidal properties. From a safety perspective, this substance is classified under multiple hazard categories including Acute Toxicity Category 4, Skin Sensitization Category 1, and Aquatic Chronic Toxicity Category 2. The GHS07 and GHS09 pictograms indicate both health and environmental hazards, while the "Warning" signal word reflects its moderate risk profile. Transportation falls under ADR Class 9 for miscellaneous dangerous substances, requiring appropriate handling protocols during shipping and storage. Industrial applications primarily focus on herbicide formulations and agricultural chemical synthesis, where its selective properties make it valuable for crop protection products. The compound also finds use in research and development of related agrochemical compounds, sometimes in conjunction with other active ingredients like 2-chloro-6-(ethylamino)-4-nitrophenol in specialized formulations. Additionally, it serves as a chemical intermediate in the synthesis of more complex carbamate-based products for various industrial applications. OYSI maintains reliable supply chains for S-benzyl N,N-dipropylcarbamothioate to support European industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 4 *; Skin Sens. 1; Aquatic Chronic 2
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
Skin Contact
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
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 | Prosulfocarb (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-benzyl N,N-dipropylcarbamothioate?
S-benzyl N,N-dipropylcarbamothioate is an organic chemical compound with the molecular formula C14H21NOS and CAS number 52888-80-9. This carbamothioate derivative has a molecular weight of 251.39 g/mol and features a benzyl group attached to a sulfur atom, along with two propyl groups bonded to nitrogen. It is classified as a moderately hazardous substance requiring careful handling due to its acute toxicity and skin sensitization properties.
What are the physicochemical properties of S-benzyl N,N-dipropylcarbamothioate?
S-benzyl N,N-dipropylcarbamothioate is an organic compound with a molecular weight of 251.39 g/mol and formula C14H21NOS. As a carbamothioate derivative, it typically exists as a liquid or solid at room temperature depending on purity and conditions. The compound contains both hydrophobic benzyl and propyl groups alongside polar thiocarbamate functionality, influencing its solubility characteristics. Specific physical properties such as melting point, boiling point, and exact appearance may vary based on purity grade.
What is S-benzyl N,N-dipropylcarbamothioate used for?
S-benzyl N,N-dipropylcarbamothioate is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Carbamothioate compounds like this are often employed in pharmaceutical synthesis, agrochemical production, or as specialized reagents in research applications. Its specific structure makes it valuable for creating more complex molecules through various chemical transformations. The compound may also serve as a building block in the development of biologically active substances or industrial chemicals.
How to handle S-benzyl N,N-dipropylcarbamothioate safely?
S-benzyl N,N-dipropylcarbamothioate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction to avoid inhalation. The Warning signal word indicates moderate hazard level, but strict adherence to safety protocols is essential to prevent acute toxicity effects and skin sensitization reactions.
How to store S-benzyl N,N-dipropylcarbamothioate correctly?
S-benzyl N,N-dipropylcarbamothioate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled with hazard information. Due to its skin sensitization properties, store in areas with restricted access and appropriate secondary containment. Avoid storage near oxidizing agents or strong bases that might react with the carbamothioate structure. Regular inspection of container integrity is recommended.
What to do in case of contact with S-benzyl N,N-dipropylcarbamothioate?
Immediate action is required for any contact with S-benzyl N,N-dipropylcarbamothioate due to its acute toxicity and skin sensitization potential. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with clean water for 15 minutes. In case of ingestion or inhalation, seek immediate medical attention. Remove person from exposure area and provide fresh air if inhaled.
How to dispose of S-benzyl N,N-dipropylcarbamothioate appropriately?
S-benzyl N,N-dipropylcarbamothioate must be disposed of according to local and national hazardous waste regulations due to its toxicity classification and environmental impact (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of this substance in regular waste streams, sewers, or soil. Small laboratory quantities may require special collection procedures, while larger industrial amounts need professional hazardous waste management services with appropriate documentation and tracking.
How to transport S-benzyl N,N-dipropylcarbamothioate?
S-benzyl N,N-dipropylcarbamothioate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation during transport. Containers must meet UN specification requirements and display proper hazard labels including GHS07 and GHS09 pictograms. Transport vehicles need placarding, and drivers require hazardous materials training. Shipping papers must include proper shipping names, hazard classes, and emergency response information.
Is S-benzyl N,N-dipropylcarbamothioate subject to specific regulations?
S-benzyl N,N-dipropylcarbamothioate is subject to various European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as an SVHC (Substance of Very High Concern) under REACH. However, its Acute Tox. 4, Skin Sens. 1, and Aquatic Chronic 2 classifications require compliance with CLP hazard communication requirements, including proper labeling with Warning signal word and appropriate pictograms GHS07 and GHS09.
Where to buy S-benzyl N,N-dipropylcarbamothioate in Europe?
S-benzyl N,N-dipropylcarbamothioate is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe with proper regulatory documentation and safety data sheets. As a professional chemical distributor, OYSI ensures compliance with REACH and CLP regulations while maintaining high quality standards. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.