3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane

P4S3

CAS1314-85-8
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
1314-85-8
EC Number
215-245-0
UN Number
1341
Index Number
015-012-00-1
PubChem CID
14818

Physical-chemical properties

Molecular Formula
P4S3
Molar Mass
220.10 g/mol
IUPAC Name
3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane

Chemical Identifiers

InChI
InChI=1S/P4S3/c5-1-2-3(1)7-4(5)6-2
InChI Key
RWQFRHVDPXXRQN-UHFFFAOYSA-N

Overview

3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane (CAS 1314-85-8) is an inorganic phosphorus sulfide compound with distinctive cage-like molecular structure and flammable properties. This specialized phosphorus sulfide compound, with molecular formula P4S3 and molecular weight 220.1 g/mol, represents a unique class of binary phosphorus-sulfur compounds characterized by its tricyclic cage structure. The compound exhibits significant industrial relevance due to its reactive phosphorus-sulfur bonds and thermal properties, making it valuable in various chemical manufacturing processes. From a safety perspective, this substance presents multiple hazard classifications requiring careful handling protocols. It is classified as a flammable solid (Flam. Sol. 1) and self-heating substance (Self-heat. 1), along with acute toxicity category 4, warranting the "Danger" signal word and corresponding GHS02 and GHS07 pictograms. The ADR classification 4.1 indicates its transportation requirements as a flammable solid. These properties necessitate appropriate storage conditions away from heat sources and oxidizing materials, with adequate ventilation and fire prevention measures. The compound finds application primarily in specialized chemical synthesis processes, particularly in the production of organophosphorus compounds and as an intermediate in pharmaceutical manufacturing. Additionally, it serves as a reagent in materials science applications where controlled phosphorus-sulfur chemistry is required. Unlike simpler compounds such as 1,2,3,4,5-pentachlorobenzene which serves different industrial purposes, this phosphorus sulfide offers unique reactivity patterns essential for specific synthetic pathways. OYSI maintains availability of 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane through its European distribution network, ensuring reliable supply for qualified industrial customers with appropriate handling capabilities.

Safety & Classification

Danger
Classification:

Flam. Sol. 1; Self-heat. 1; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H228

Flammable solid.

H302

Harmful if swallowed.

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 Number1341
ADR Class4.1
Packing GroupII
Tunnel CodeE
Proper Shipping NamePhosphorsesquisulfid, frei von gelbem oder weißem Phosphor
Marine PollutantNo

Frequently Asked Questions

What is 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane?

3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane is an inorganic compound with the molecular formula P4S3 and CAS number 1314-85-8. This phosphorus sulfide has a molecular weight of 220.1 g/mol and features a unique tricyclic cage structure containing four phosphorus atoms and three sulfur atoms. It is classified as a flammable solid with self-heating properties and acute toxicity concerns.

What are the physicochemical properties of 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane?

P4S3 is a yellowish crystalline solid at room temperature with a distinctive garlic-like odor. The compound demonstrates limited water solubility but dissolves readily in carbon disulfide and other organic solvents. Its cage-like molecular structure contributes to its stability under normal conditions, though it exhibits flammable and self-heating characteristics that require careful handling and storage considerations.

What is 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane used for?

P4S3 is primarily used as an intermediate in the synthesis of organophosphorus compounds and specialty chemicals. It serves as a reagent in pharmaceutical manufacturing, particularly in the production of certain drug intermediates. Additionally, it finds applications in the preparation of flame retardants, plasticizers, and other phosphorus-containing industrial chemicals where its unique cage structure provides specific chemical reactivity.

How to handle 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane safely?

Safe handling requires wearing appropriate personal protective equipment including nitrile gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction due to its acute toxicity classification. Avoid sources of ignition as P4S3 is classified as Flam. Sol. 1, and prevent accumulation of heat due to its self-heating properties (Self-heat. 1).

How to store 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane correctly?

P4S3 must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and store below 25°C to prevent self-heating reactions. Avoid storage near oxidizing agents, acids, and moisture. Use appropriate fire-resistant storage cabinets and ensure adequate separation distances from other hazardous materials according to local regulations.

What to do in case of contact with 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane?

In case of skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its acute toxicity classification (Acute Tox. 4), seek medical advice promptly for any exposure incident.

How to dispose of 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane appropriately?

P4S3 waste must be disposed of through licensed hazardous waste disposal facilities in accordance with local and European waste regulations. The material cannot be disposed of via normal waste streams due to its flammable and toxic properties. Contact certified waste management companies experienced in handling phosphorus compounds. Ensure proper classification and documentation according to ADR transport requirements during disposal transport.

How to transport 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane?

P4S3 is classified under ADR Class 4.1 (Flammable solids) with Packing Group II, indicating moderate danger level. Transportation requires appropriate UN-specification packaging, proper labeling with GHS02 and GHS07 pictograms, and documentation including safety data sheets. Only trained personnel should handle transport operations, and vehicles must comply with ADR regulations for Class 4.1 substances.

Is 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane subject to specific regulations?

P4S3 is regulated under European CLP Regulation with mandatory classification as Flam. Sol. 1, Self-heat. 1, and Acute Tox. 4. It requires safety data sheets under REACH regulation and proper hazard communication. The substance is not currently listed as SVHC (Substance of Very High Concern), but users must comply with occupational exposure limits and workplace safety requirements established by national authorities.

Where to buy 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane in Europe?

P4S3 is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, including proper classification, labeling, and safety documentation required under European regulations. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for industrial customers requiring this specialized phosphorus sulfide compound.

Services for 3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane

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3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane 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.