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 flammable and self-heating properties. This specialized phosphorus sulfide, with molecular formula P4S3 and molecular weight 220.1 g/mol, represents a unique tricyclic compound containing both phosphorus and sulfur atoms in its cage-like structure. The compound is classified under EC number 215-245-0 and exhibits significant safety considerations due to its reactive nature. As a flammable solid with self-heating characteristics, it requires careful handling protocols and appropriate storage conditions to prevent spontaneous ignition. The compound's hazard classification includes Flam. Sol. 1 (flammable solid category 1), Self-heat. 1 (self-heating substance category 1), and Acute Tox. 4 (acute toxicity category 4), necessitating the "Danger" signal word and GHS02/GHS07 pictograms. Under ADR transport regulations, it falls under class 4.1, reflecting its flammable solid properties. These safety characteristics distinguish it from other phosphorus-containing compounds and require specialized handling expertise. Industrial applications of this phosphorus sulfide compound typically include specialized chemical synthesis processes, particularly in organophosphorus chemistry where controlled reactivity is essential. The compound serves as an important intermediate in the production of various phosphorus-containing materials and finds application in specialized flame retardant formulations. Unlike simpler compounds such as 1,2,3,4,5-pentachlorobenzene, this complex tricyclic structure offers unique reactivity patterns valuable in advanced chemical manufacturing processes. The compound's distinctive molecular architecture and controlled reactivity make it particularly valuable for research and development applications in materials science and specialty chemical synthesis. OYSI maintains reliable supply chains for this specialized phosphorus sulfide compound, supporting European industrial customers with technical-grade materials and comprehensive safety documentation.

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 compound has a molecular weight of 220.1 g/mol and features a complex tricyclic cage-like structure containing four phosphorus atoms and three sulfur atoms. It is classified as a flammable solid with self-heating properties and acute toxicity, making it a hazardous chemical requiring careful handling and storage procedures.

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 is highly reactive and unstable in air, readily oxidizing when exposed to moisture and oxygen. It has limited solubility in water but dissolves in organic solvents such as carbon disulfide. The material exhibits flammable properties and can undergo self-heating, making it thermally unstable. Its cage-like molecular structure contributes to its unique chemical reactivity and physical characteristics.

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 organic chemistry for introducing phosphorus-sulfur functionality into molecular structures. The compound finds applications in the production of flame retardants, pesticides, and pharmaceutical intermediates. Additionally, it may be utilized in research and development activities for creating novel phosphorus-containing materials and in specialized chemical manufacturing processes requiring phosphorus-sulfur chemistry.

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

P4S3 requires strict safety measures due to its flammable, self-heating, and toxic properties. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Eliminate all ignition sources and avoid friction or impact that could cause ignition. Handle quantities as small as possible and use grounding procedures to prevent static electricity buildup during transfer operations.

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 place away from heat sources, direct sunlight, and ignition sources due to its self-heating properties. Use airtight containers to prevent contact with moisture and air, which can cause decomposition. Store separately from oxidizing agents, acids, and incompatible materials. The storage area should have appropriate fire suppression systems and temperature control to prevent spontaneous heating. Regular monitoring of storage conditions and container integrity is essential for safety.

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

Immediate medical attention is required for any exposure to P4S3 due to its acute toxicity. For skin contact, remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. In case of eye contact, rinse immediately with water for 15 minutes and seek medical care. If inhaled, move the person to fresh air and provide respiratory support if needed. For ingestion, do not induce vomiting and seek immediate medical attention while providing supportive care.

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

P4S3 disposal must comply with local, national, and EU waste regulations due to its hazardous classification. The material should be collected as hazardous chemical waste and disposed of through licensed waste management companies specializing in flammable and toxic substances. Never discharge into drains, soil, or waterways. Small quantities may be neutralized under controlled conditions by trained personnel, but large amounts require professional hazardous waste disposal. Maintain detailed disposal records for regulatory compliance.

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 for transport. Packages must comply with UN specifications for flammable solids and bear appropriate hazard labels and markings. Transport vehicles require proper placarding and documentation. Drivers must hold ADR certification for dangerous goods transport. Shipments should avoid extreme temperatures and ensure packages remain sealed and undamaged during transit to prevent exposure risks.

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

P4S3 is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. The compound is not currently listed as a Substance of Very High Concern (SVHC) under REACH. However, its hazardous classification requires compliance with occupational exposure limits, safety data sheet requirements, and notification procedures. Transportation is regulated under ADR/RID for dangerous goods. Users must ensure proper risk assessments, worker training, and emergency procedures are implemented according to regulatory requirements.

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 leading European distributor of specialty chemicals and technical products. OYSI provides reliable supply chains for phosphorus compounds with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical requiring careful handling, it's essential to work with experienced distributors who understand the technical requirements and safety protocols. Contact OYSI directly to discuss availability, packaging options, and delivery arrangements for your specific application needs.

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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.