1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine

C17H21NO4S4

CAS17606-31-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
17606-31-4
UN Number
3077
Index Number
016-062-00-7
PubChem CID
87176

Physical-chemical properties

Molecular Formula
C17H21NO4S4
Molar Mass
431.60 g/mol
IUPAC Name
1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine

Chemical Identifiers

InChI
InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChI Key
YFXPPSKYMBTNAV-UHFFFAOYSA-N

Overview

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine (CAS 17606-31-4) is an organosulfur compound with multiple sulfonyl functional groups and tertiary amine properties. This specialized chemical compound features a complex molecular structure combining benzenesulfonyl groups with a dimethylaminopropane backbone, resulting in unique chemical properties that make it valuable for specific industrial applications. With a molecular formula of C17H21NO4S4 and molecular weight of 431.6 g/mol, this substance belongs to the family of organosulfur compounds that exhibit distinctive reactivity patterns due to their sulfur-containing functional groups. The compound presents moderate toxicity concerns, classified as Acute Tox. 4 under the GHS system, requiring careful handling protocols in industrial settings. Its environmental profile shows significant aquatic toxicity, classified as both Aquatic Acute 1 and Aquatic Chronic 1, necessitating strict containment measures to prevent environmental release. The ADR Class 9 classification indicates it falls under miscellaneous dangerous substances for transport purposes. From a safety perspective, the compound displays GHS07 and GHS09 pictograms with a "Warning" signal word, indicating both health hazards and environmental concerns. Proper personal protective equipment and ventilation systems are essential when handling this material in industrial processes. Primary applications include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and as a reagent in organosulfur chemistry research. Unlike simpler compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this molecule's multiple functional groups provide enhanced reactivity options for complex synthetic pathways. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-purity organosulfur intermediates.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBensultap (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is a specialized organic chemical compound with the molecular formula C17H21NO4S4 and molecular weight of 431.6 g/mol. This substance contains multiple sulfur atoms and benzenesulfonyl groups, making it a complex organosulfur compound. It is classified as moderately hazardous with acute toxicity category 4 and significant aquatic toxicity, requiring careful handling in industrial applications.

What are the physicochemical properties of 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine has a molecular weight of 431.6 g/mol and contains four sulfur atoms within its structure. The compound features benzenesulfonyl groups and a tertiary amine functionality. Due to its complex structure with both polar and aromatic components, it likely exhibits moderate solubility in organic solvents. Specific physical properties such as melting point and density require laboratory analysis for precise determination.

What is 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine used for?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine serves as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its unique structure with multiple sulfonyl groups and amine functionality makes it valuable for developing sulfur-containing compounds and potential drug candidates. The compound may also find applications in materials science and as a building block for more complex organosulfur molecules in specialized industrial processes.

How to handle 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine safely?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure emergency eyewash stations are accessible. Handle containers carefully to prevent spills and environmental release given its aquatic toxicity classification.

How to store 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine correctly?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight. Keep away from incompatible materials such as strong oxidizing agents and bases. Store in secondary containment to prevent environmental release due to its high aquatic toxicity. Ensure storage areas are equipped with appropriate spill cleanup materials and maintain proper inventory records for regulatory compliance.

What to do in case of contact with 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine?

Immediate action is required upon contact with 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine due to its toxicity. For skin contact, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If eye contact occurs, flush immediately with water for 15 minutes while holding eyelids open. In case of inhalation, move to fresh air immediately. Seek medical attention promptly for all exposure routes and provide safety data sheet to medical personnel.

How to dispose of 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine properly?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental hazard classification. Never discharge to sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Follow local and national waste regulations including proper waste classification codes. Containerize waste appropriately and maintain disposal documentation for regulatory compliance and traceability.

How to transport 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This requires appropriate dangerous goods packaging, labeling, and documentation according to ADR regulations. Vehicles must carry proper placards and emergency response information. Drivers need ADR certification for Class 9 materials. Ensure packages are properly secured and protected from damage during transit to prevent environmental release.

Is 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine subject to special regulations?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is subject to standard REACH and CLP regulations in Europe but is not classified as a Substance of Very High Concern (SVHC). Companies must comply with REACH registration requirements for quantities above 1 tonne per year. Safety data sheets must be provided following CLP classification with Warning signal word and appropriate GHS07 and GHS09 pictograms. Environmental discharge restrictions apply due to aquatic toxicity classifications.

Where to buy 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine in Europe?

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound with full regulatory compliance including proper safety data sheets, packaging, and transportation documentation. As a professional chemical distributor, OYSI ensures product quality and regulatory adherence for industrial and research customers across Europe. Contact OYSI directly for availability, specifications, and delivery options for your specific requirements.

Data Sources

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