Thiocyanatomethyl thiocyanate

C3H2N2S2

thiocyanatomethyl thiocyanate

CAS6317-18-6
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
6317-18-6
EC Number
228-652-3
UN Number
2923
Index Number
615-020-00-0
PubChem CID
22772

Physical-chemical properties

Molecular Formula
C3H2N2S2
Molar Mass
130.20 g/mol
IUPAC Name
thiocyanatomethyl thiocyanate

Chemical Identifiers

InChI
InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2
InChI Key
JWZXKXIUSSIAMR-UHFFFAOYSA-N

Overview

Thiocyanatomethyl thiocyanate (CAS 6317-18-6) is an organosulfur compound featuring dual thiocyanate functional groups with high toxicity and corrosive properties. This specialized chemical compound, also known by its EC number 228-652-3, represents a unique dithiocyanate structure with significant industrial relevance despite its hazardous nature. With a molecular formula of C3H2N2S2 and molecular weight of 130.2 g/mol, thiocyanatomethyl thiocyanate exhibits distinctive reactivity patterns attributed to its twin thiocyanate moieties attached to a central methyl bridge. The compound presents serious safety considerations, classified under multiple acute toxicity categories (Acute Tox. 2 and 3), skin corrosion (1B), and skin sensitization (1) classifications. Its corrosive nature, indicated by the GHS05 pictogram alongside toxicity (GHS06) and environmental hazard (GHS09) symbols, requires stringent handling protocols. The ADR Class 8 classification confirms its corrosive transport properties, necessitating specialized packaging and documentation. Primary industrial applications include its use as a chemical intermediate in pharmaceutical synthesis, where its reactive thiocyanate groups facilitate complex molecular transformations. The compound also serves in specialized polymer chemistry applications and as a building block for agrochemical synthesis. Like related compounds such as 2-chloro-5-(chloromethyl)-1,3-thiazole, it finds application in heterocyclic chemistry where sulfur-nitrogen functionalities are essential. Safety protocols must address its acute toxicity potential and corrosive characteristics, requiring appropriate personal protective equipment, ventilation systems, and emergency response procedures. Environmental considerations are paramount given its aquatic toxicity classification. OYSI maintains availability of thiocyanatomethyl thiocyanate for qualified industrial customers requiring this specialized chemical intermediate, supported by comprehensive technical documentation and safety data sheets.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 3 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H301

Toxic if swallowed.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Toxic

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 Number2923
ADR Class8
Packing GroupI
Tunnel CodeE
Proper Shipping NameMethylendithiocyanat
Marine PollutantNo

Frequently Asked Questions

What is thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate is an organosulfur compound with the molecular formula C3H2N2S2 and CAS number 6317-18-6. This chemical substance has a molecular weight of 130.2 g/mol and contains two thiocyanate functional groups connected by a methylene bridge. It is classified as a highly hazardous substance with multiple danger classifications including acute toxicity, skin corrosion, skin sensitization, and aquatic toxicity properties.

What are the physicochemical properties of thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate is a chemical compound with molecular formula C3H2N2S2 and molecular mass of 130.2 g/mol. As an organosulfur compound containing thiocyanate groups, it typically exhibits characteristic sulfur-containing compound properties. The substance requires careful handling due to its corrosive nature and high toxicity profile. Specific physical properties such as melting point, boiling point, and solubility data should be obtained from detailed safety data sheets.

What is thiocyanatomethyl thiocyanate used for?

Thiocyanatomethyl thiocyanate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Due to its reactive thiocyanate functional groups, it serves as a building block for producing more complex molecules in research and industrial applications. Its high toxicity and corrosive properties limit its use to specialized industrial processes where appropriate safety measures and expertise are available for safe handling.

How to handle thiocyanatomethyl thiocyanate safely?

Thiocyanatomethyl thiocyanate requires extreme caution during handling due to its Acute Tox. 2/3 and Skin Corr. 1B classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, face protection, and appropriate respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Emergency shower and eyewash stations should be readily accessible when working with this substance.

How to store thiocyanatomethyl thiocyanate correctly?

Thiocyanatomethyl thiocyanate must be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. As a corrosive substance (ADR Class 8, Group I), it requires segregation from oxidizing agents, bases, and metals. Storage areas should be equipped with appropriate spill containment measures and restricted to authorized personnel only. Regular container inspection is essential to prevent leakage.

What to do in case of contact with thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate contact requires immediate action due to its corrosive and highly toxic nature. For skin contact, immediately remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. In case of eye contact, rinse immediately with water for at least 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure.

How to dispose of thiocyanatomethyl thiocyanate properly?

Thiocyanatomethyl thiocyanate disposal must comply with local, national, and international hazardous waste regulations due to its high toxicity and environmental hazard classification (Aquatic Acute 1). The substance cannot be disposed of through normal waste streams and requires specialized hazardous waste treatment facilities. Consult with certified waste disposal companies experienced in handling corrosive and toxic chemical waste. Empty containers may also require special disposal procedures.

How to transport thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate is classified as ADR Class 8 (corrosive substances), Packing Group I, indicating the highest level of danger for corrosive materials. Transportation requires compliance with dangerous goods regulations including proper packaging, labeling with appropriate hazard pictogrammes (GHS06, GHS05, GHS09), and documentation. Only authorized carriers with dangerous goods training and appropriate vehicle equipment should handle transportation of this substance.

Is thiocyanatomethyl thiocyanate subject to specific regulations?

Thiocyanatomethyl thiocyanate is subject to multiple regulatory frameworks including CLP regulation for classification and labeling, and REACH regulation for chemical registration and authorization in Europe. While not currently listed as a Substance of Very High Concern (SVHC), its multiple hazard classifications require strict compliance with occupational safety regulations, environmental protection laws, and transportation of dangerous goods regulations across European jurisdictions.

Where to buy thiocyanatomethyl thiocyanate in Europe?

Thiocyanatomethyl thiocyanate is available through OYSI, a specialized European distributor of technical chemicals and laboratory reagents. As a highly hazardous substance requiring expert handling, OYSI provides comprehensive technical support, safety documentation, and regulatory compliance assistance to qualified industrial and research customers. Contact OYSI directly for availability, specifications, and ordering requirements for this controlled chemical substance.

Data Sources

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