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 molecular formula C17H21NO4S4 featuring dual benzenesulfonylsulfanyl groups and tertiary amine functionality. This specialized chemical compound represents a unique class of organosulfur derivatives characterized by its distinctive molecular architecture combining aromatic sulfonyl groups with aliphatic amine functionality. With a molecular weight of 431.6 g/mol, this compound exhibits specific chemical properties that make it valuable for various industrial applications requiring sulfur-containing organic molecules. The compound's structure features two benzenesulfonylsulfanyl moieties attached to a dimethylaminopropane backbone, creating a symmetrical molecule with interesting chemical reactivity. This structural arrangement provides both hydrophobic aromatic regions and a hydrophilic amine center, potentially offering amphiphilic characteristics useful in specialized applications. From a safety perspective, 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is classified under GHS pictograms GHS07 and GHS09, indicating both health hazards and environmental concerns. The compound carries acute toxicity warnings (Acute Tox. 4) and aquatic toxicity classifications (Aquatic Acute 1, Aquatic Chronic 1), requiring careful handling protocols and environmental protection measures during use and disposal. Industrial applications typically include use as a chemical intermediate in organic synthesis, particularly in the development of sulfur-containing pharmaceuticals and agrochemicals. The compound may also serve specialized roles in materials science applications where its unique sulfur-nitrogen functionality provides specific performance characteristics. Unlike simpler compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this molecule offers more complex reactivity patterns due to its multiple functional groups. OYSI provides access to this specialized organosulfur compound for qualified industrial customers requiring high-quality chemical intermediates for their technical applications.

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 an organosulfur compound with the molecular formula C17H21NO4S4 and CAS number 17606-31-4. This chemical features a complex structure containing benzenesulfonyl groups, sulfur linkages, and a dimethylamine functionality. With a molecular weight of 431.6 g/mol, it belongs to a specialized class of sulfur-containing organic compounds used in various 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 is a solid compound at room temperature with a molecular weight of 431.6 g/mol. The presence of multiple sulfur atoms and aromatic rings contributes to its stability and specific chemical reactivity. Its solubility characteristics are influenced by both the polar amine group and the aromatic sulfonyl moieties, making it suitable for specific chemical processes where these properties are advantageous.

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

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine is primarily used as a specialized chemical intermediate in organic synthesis and pharmaceutical research. Its unique structure containing sulfonyl and sulfanyl groups makes it valuable for developing sulfur-containing compounds and as a reagent in specific chemical transformations. The compound finds applications in fine chemical manufacturing and research laboratories requiring specialized organosulfur chemistry capabilities.

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

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine requires careful handling due to its Acute Toxicity 4 classification. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and ensure immediate access to emergency eyewash stations. Follow established laboratory safety protocols and consult the safety data sheet before use.

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

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store in a designated chemical storage area with appropriate ventilation and away from incompatible materials. Due to its aquatic toxicity classification, ensure proper containment to prevent environmental release. Regular inventory checks should be conducted to monitor container integrity.

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

Immediate action is required following contact with 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine. For skin contact, immediately wash with plenty of soap and water for at least 15 minutes. If eye contact occurs, rinse thoroughly with clean water for 15 minutes and remove contact lenses if present. In case of inhalation, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult emergency services if symptoms develop.

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

1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine must be disposed of through licensed hazardous waste disposal facilities due to its environmental toxicity classification. Never discharge into sewers, waterways, or soil as it poses risks to aquatic life. Collect waste in appropriate containers and label clearly for professional disposal. Contact certified waste management companies experienced in handling toxic chemicals. Follow local, national, and EU regulations regarding hazardous chemical waste disposal procedures.

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 goods), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Packages must be properly marked with UN numbers and hazard labels. Transport should be conducted by trained personnel familiar with dangerous goods handling, using appropriate vehicles and following prescribed routing restrictions where applicable.

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 EU chemical regulations including REACH and CLP classifications. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must be handled according to its hazard classification (Acute Tox. 4, Aquatic Acute 1, Aquatic Chronic 1) with appropriate safety measures and documentation. Companies must maintain safety data sheets and comply with workplace safety regulations for toxic substances.

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 technical chemicals. OYSI provides high-quality chemical products to industrial and research customers across Europe, ensuring proper handling, documentation, and regulatory compliance. As a professional chemical distributor, OYSI can provide technical support, safety data sheets, and appropriate packaging for this specialized compound. Contact OYSI directly for availability, specifications, and ordering information.

Data Sources

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