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 distinctive sulfonamide and phosphinothioyl functional groups. This complex organophosphorus compound, with molecular formula C14H24NO4PS3 and molecular weight 397.5 g/mol, represents a specialized chemical intermediate featuring both phosphinothioyl and benzenesulfonamide moieties. The compound's structure incorporates isopropoxy groups attached to the phosphorus center, creating a molecule with unique reactivity patterns that distinguish it from simpler organophosphorus derivatives. Its EC number 212-010-4 reflects its established regulatory status within European chemical commerce. The safety profile of this substance requires careful consideration, as indicated by its classification under Acute Tox. 4 with Warning signal word and GHS07 pictogram. Additionally, its environmental impact classification includes Aquatic Acute 1 and Aquatic Chronic 1 categories, accompanied by the GHS09 environmental hazard pictogram. Transportation falls under ADR Class 6.1, designating it as a toxic substance requiring appropriate handling protocols during shipment and storage. The compound's dual functionality makes it valuable in specialized synthetic applications, particularly in pharmaceutical intermediate synthesis where both the phosphinothioyl and sulfonamide groups can participate in selective chemical transformations. Its structural complexity also finds application in advanced materials chemistry and as a specialized reagent in organophosphorus research. Unlike simpler phosphorus compounds such as dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane, this molecule offers enhanced selectivity due to its bulky isopropoxy substituents. OYSI maintains reliable supply chains for this specialized organophosphorus compound, supporting European industrial and research applications with consistent quality and regulatory compliance.

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 features a complex structure containing phosphinothioyl, sulfanyl, and benzenesulfonamide functional groups. With a molecular weight of 397.5 g/mol, it is classified as having moderate acute toxicity and significant aquatic toxicity, requiring careful handling in industrial applications.

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

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is a solid organophosphorus compound with a molecular weight of 397.5 g/mol. The presence of multiple sulfur atoms and phosphorus functionality suggests limited water solubility but good solubility in organic solvents. Its complex structure with both hydrophobic aromatic rings and polar functional groups influences its physical behavior and chemical reactivity in various applications.

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 chemical intermediate in specialty synthesis applications. Its organophosphorus structure makes it valuable in agricultural chemistry, pharmaceutical research, and specialty chemical manufacturing. The compound's unique functional groups enable its use in complex organic syntheses where specific reactivity patterns are required for developing advanced materials or active ingredients.

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

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide requires careful handling due to its Acute Tox. 4 classification. Use appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and ensure emergency eyewash and shower facilities are readily accessible. Follow standard chemical hygiene protocols throughout all handling procedures.

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

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide 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. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from oxidizing agents and strong bases that may react with the organophosphorus functionality.

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

In case of skin contact with N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

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

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide must be disposed of as hazardous waste due to its toxicity classifications. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow all local, national, and EU regulations for hazardous chemical waste disposal. Maintain proper documentation of waste disposal activities.

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, Packing Group III for transport purposes. This indicates it is a toxic substance requiring appropriate packaging, labeling, and documentation for road transport. Use UN-approved packaging suitable for Class 6.1 materials. Ensure proper hazard placarding, shipping papers, and driver training compliance. Follow all ADR regulations for loading, segregation, and transport vehicle requirements.

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

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide is subject to REACH registration requirements in the European Union and must comply with CLP classification and labeling regulations. While not currently listed as a SVHC (Substance of Very High Concern), its toxicity profile requires compliance with chemical safety regulations. Users must maintain safety data sheets, implement risk management measures, and follow occupational exposure limits where established by national authorities.

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. OYSI provides this compound to industrial customers across Europe with proper documentation and regulatory compliance. As a specialty organophosphorus compound, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for current availability, technical specifications, and regulatory documentation including safety data sheets and certificates of analysis.

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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.