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 significant industrial utility and notable safety considerations. This specialized chemical compound, with the molecular formula C3H2N2S2 and a molecular weight of 130.2 g/mol, represents an important class of dithiocyanate derivatives used in various industrial applications. The substance is characterized by its unique molecular structure containing two thiocyanate groups (-SCN) connected through a methylene bridge, which confers specific reactivity patterns and chemical properties essential for targeted industrial processes. From a safety perspective, thiocyanatomethyl thiocyanate requires careful handling protocols due to its classification under multiple hazard categories. The compound exhibits acute toxicity (categories 2 and 3), skin corrosion properties (category 1B), and skin sensitization potential (category 1). Additionally, it poses environmental concerns with acute aquatic toxicity (category 1). These characteristics necessitate appropriate personal protective equipment, proper ventilation systems, and adherence to strict handling procedures in industrial settings. The substance carries the "Danger" signal word and is classified under ADR class 8, indicating its corrosive nature during transportation. In industrial applications, thiocyanatomethyl thiocyanate serves primarily as a chemical intermediate in organic synthesis, particularly in the production of heterocyclic compounds and specialized materials. The compound finds use in pharmaceutical intermediate synthesis and as a building block for agrochemical formulations. Its reactivity profile makes it valuable in applications where controlled introduction of thiocyanate functionality is required, similar to other sulfur-containing compounds like 2-chloro-5-(chloromethyl)-1,3-thiazole in heterocyclic chemistry. OYSI maintains reliable supply chains for thiocyanatomethyl thiocyanate, ensuring consistent availability for qualified industrial customers across European markets.

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 corrosive and toxic properties, requiring careful handling in industrial applications due to its acute toxicity and skin corrosion potential.

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. The substance typically appears as a solid at room temperature and contains sulfur and nitrogen functional groups that contribute to its reactivity. Due to the presence of thiocyanate groups, it likely exhibits polar characteristics and may have limited water solubility. The compound's structure makes it chemically reactive and potentially unstable under certain conditions.

What is thiocyanatomethyl thiocyanate used for?

Thiocyanatomethyl thiocyanate is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. The compound serves as a reagent in pharmaceutical research and development, particularly in the synthesis of sulfur-containing organic compounds. Its dual thiocyanate functionality makes it valuable for cross-linking reactions and as a building block for more complex molecular structures. However, its high toxicity and corrosive nature limit its applications to specialized industrial and research settings.

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. Personnel must wear full protective equipment including chemical-resistant gloves, eye protection, and respiratory protection. Work should be conducted in a well-ventilated area or under fume extraction systems. Avoid direct skin and eye contact, and prevent inhalation of vapors or dust. Emergency shower and eyewash stations must be readily accessible when working with this highly corrosive substance.

How to store thiocyanatomethyl thiocyanate correctly?

Thiocyanatomethyl thiocyanate must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Given its corrosive nature and ADR Class 8 Packing Group I classification, use corrosion-resistant containers and secondary containment. Keep away from heat sources, oxidizing agents, and moisture. Storage areas should be equipped with appropriate spill control measures and restricted to authorized personnel only. Regular container inspection is essential due to the substance's corrosive properties.

What to do in case of contact with thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate exposure requires immediate emergency response due to its high toxicity and corrosive properties. For skin contact, immediately remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, rinse thoroughly with water for at least 15 minutes. In all cases of exposure, seek immediate medical attention and provide the safety data sheet to medical personnel.

How to dispose of thiocyanatomethyl thiocyanate appropriately?

Thiocyanatomethyl thiocyanate disposal must comply with local and international hazardous waste regulations due to its high toxicity and environmental hazard classification (Aquatic Acute 1). The substance cannot be disposed of in regular waste streams and requires treatment by licensed hazardous waste disposal facilities. Incineration at high temperatures in specialized facilities is typically required. Empty containers must also be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved disposal facilities.

How to transport thiocyanatomethyl thiocyanate?

Thiocyanatomethyl thiocyanate is classified under ADR Class 8 (corrosive substances) Packing Group I, indicating maximum danger level for transport. The substance requires specialized packaging meeting UN specification requirements and appropriate hazard labeling including GHS06, GHS05, and GHS09 pictograms. Transportation must be conducted by certified carriers experienced in hazardous materials handling. Proper shipping documentation, emergency response information, and compliance with international dangerous goods regulations (ADR/RID/IMDG/IATA) are mandatory for legal transport.

Is thiocyanatomethyl thiocyanate subject to specific regulations?

Thiocyanatomethyl thiocyanate is subject to comprehensive chemical safety regulations including REACH registration requirements in Europe and CLP classification obligations. The substance carries multiple hazard classifications (Acute Tox. 2-3, Skin Corr. 1B, Skin Sens. 1, Aquatic Acute 1) requiring detailed safety data sheets and risk assessments. While not currently listed as an SVHC, its high toxicity profile means it may face future regulatory restrictions. Users must comply with occupational exposure limits and environmental protection measures.

Where to buy thiocyanatomethyl thiocyanate in Europe?

Thiocyanatomethyl thiocyanate is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers. OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support for hazardous chemicals like thiocyanatomethyl thiocyanate. Given the substance's high hazard classification and transport restrictions, procurement requires verification of end-use applications and compliance with relevant safety and environmental regulations. Contact OYSI's technical team for availability, specifications, and regulatory guidance.

Data Sources

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