N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide

C14H24NO4PS3

CAS741-58-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
741-58-2
EC Number
212-010-4
UN Number
2783
Index Number
015-083-00-9
PubChem CID
12932

Physical-chemical properties

Molecular Formula
C14H24NO4PS3
Molar Mass
397.50 g/mol
IUPAC Name
N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide

Chemical Identifiers

InChI
InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChI Key
RRNIZKPFKNDSRS-UHFFFAOYSA-N

Overview

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide (CAS 741-58-2) is an organophosphorus compound with phosphinothioyl and benzenesulfonamide functional groups, exhibiting moderate acute toxicity and aquatic environmental hazards. This specialized organophosphorus compound belongs to a class of molecules containing both phosphorus-sulfur bonds and aromatic sulfonamide moieties, making it valuable for specific industrial applications requiring dual functionality. With a molecular formula of C14H24NO4PS3 and molecular weight of 397.5 g/mol, this compound demonstrates the complex molecular architecture typical of advanced phosphorus-containing chemicals used in technical applications. The compound's safety profile requires careful handling protocols due to its classification as Acute Tox. 4 and its significant environmental impact on aquatic systems, indicated by both Aquatic Acute 1 and Aquatic Chronic 1 classifications. The GHS07 and GHS09 pictograms emphasize the need for appropriate personal protective equipment and environmental precautions during handling and storage. As an ADR Class 6.1 substance, transport regulations must be strictly observed to ensure safety compliance. The unique combination of phosphinothioyl and sulfonamide functionalities distinguishes this compound from related organophosphorus chemicals such as dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, which lacks the sulfonamide component. Primary industrial applications include specialized chemical synthesis as an intermediate, agricultural chemical formulations where its dual functionality provides enhanced biological activity, and materials science applications requiring specific phosphorus-sulfur bonding characteristics. OYSI maintains reliable supply chains for this technical grade compound, ensuring consistent availability for qualified industrial customers requiring this specialized organophosphorus chemical for their manufacturing processes.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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 Number2783
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameBensulid (ISO), fest
Marine PollutantNo

Frequently Asked Questions

What is N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is an organophosphorus compound with the molecular formula C14H24NO4PS3 and CAS number 741-58-2. This chemical substance has a molecular weight of 397.5 g/mol and contains phosphorus, sulfur, and nitrogen functional groups. It is classified as moderately hazardous with acute toxicity category 4 and presents significant environmental risks to aquatic ecosystems. The compound belongs to the class of phosphinothioyl derivatives and is regulated under various chemical safety frameworks.

What are the physicochemical properties of N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is a complex organic molecule with a molecular weight of 397.5 g/mol and the formula C14H24NO4PS3. As an organophosphorus compound containing multiple heteroatoms (phosphorus, sulfur, nitrogen), it likely exists as a solid or viscous liquid at room temperature. The presence of isopropoxy groups and aromatic sulfonamide moiety suggests moderate lipophilicity. Specific physical properties such as melting point, boiling point, and solubility data should be confirmed through technical documentation.

What is N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide used for?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is primarily used as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Its organophosphorus structure makes it valuable in the development of bioactive compounds and specialty chemicals. The compound may serve as a building block for pesticide formulations or pharmaceutical active ingredients. Due to its complex molecular structure containing phosphinothioyl and sulfonamide groups, it finds applications in research and development of advanced chemical products requiring specific biological or chemical activities.

How to handle N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide safely?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide requires careful handling due to its Acute Tox. 4 classification and environmental hazards. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent environmental release. Use appropriate containment measures and ensure emergency procedures are in place. The compound displays GHS07 and GHS09 pictograms, indicating both health and environmental hazards requiring strict safety protocols.

How to store N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide correctly?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide should be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from incompatible materials. As an organophosphorus compound, avoid exposure to strong oxidizers, acids, and bases. Store away from heat sources, ignition sources, and direct sunlight. Ensure proper labeling with hazard information and maintain secure storage to prevent unauthorized access. Given its environmental classification (Aquatic Acute 1, Aquatic Chronic 1), implement measures to prevent environmental release and provide appropriate spill containment.

What to do in case of contact with N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide?

Immediate action is required following contact with N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide due to its Acute Tox. 4 classification. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if serious exposure occurs.

How to dispose of N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide appropriately?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide must be disposed of through licensed hazardous waste disposal facilities due to its toxic and environmentally hazardous properties. The substance requires special handling as hazardous waste under European waste regulations. Contact certified waste management companies experienced with organophosphorus compounds and environmental hazards. Prevent release to sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Maintain proper documentation and follow local and EU regulations for hazardous chemical waste disposal.

How to transport N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is classified as ADR Class 6.1 (Toxic substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-specification packaging suitable for Class 6.1 materials and ensure proper hazard labels are displayed. Transport vehicles must comply with ADR requirements for toxic substances. Drivers require appropriate ADR training and certification. Ensure transport documentation includes proper shipping names, hazard classes, and emergency response information.

Is N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide subject to specific regulations?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC). It must comply with classification and labeling requirements showing Warning signal word and GHS07/GHS09 pictograms. Transportation falls under ADR regulations as Class 6.1, Group III. Environmental regulations apply due to its aquatic toxicity classifications. Users must ensure compliance with occupational health and safety legislation and waste management regulations.

Where to buy N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide in Europe?

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this organophosphorus compound to qualified industrial and research customers throughout Europe with appropriate regulatory compliance and technical support. As a specialized chemical with specific safety requirements, procurement is typically limited to professional users with proper handling capabilities and regulatory compliance. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for this controlled chemical substance.

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N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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