2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate

C5H3BCl2F5N

CAS140623-89-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
140623-89-8
EC Number
427-400-1
UN Number
3261
Index Number
613-274-00-7
PubChem CID
2737307

Physical-chemical properties

Molecular Formula
C5H3BCl2F5N
Molar Mass
253.79 g/mol
IUPAC Name
2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate

Chemical Identifiers

InChI
InChI=1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1
InChI Key
JVYBYXWHPIEUOT-UHFFFAOYSA-N

Overview

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate (CAS 140623-89-8) is a fluorinated pyridinium salt with specialized reactivity for advanced chemical synthesis applications. This highly specialized chemical compound represents an important class of organofluorine reagents used in modern synthetic chemistry. The molecular structure combines a pyridinium core with strategic chlorine substitutions at positions 2 and 6, along with fluorine functionality and a tetrafluoroborate counterion, resulting in unique chemical properties that make it valuable for specific industrial applications. The compound exhibits significant hazard characteristics that require careful handling protocols. Classified under ADR Class 8 as a corrosive substance, it presents acute toxicity concerns (Category 4) and demonstrates strong skin corrosive properties (Category 1B). Additionally, it functions as a skin sensitizer and poses environmental risks to aquatic ecosystems, both for acute and chronic exposure scenarios. The presence of multiple halogen atoms contributes to its reactivity profile while also necessitating specialized storage and handling procedures. Industrial applications primarily focus on pharmaceutical intermediate synthesis and advanced materials development, where the compound's unique fluorination capabilities provide access to otherwise difficult-to-synthesize molecular architectures. It serves as an effective fluorinating agent in organic synthesis, particularly valuable in developing fluorinated pharmaceuticals and agrochemicals. Unlike simpler halogenated compounds such as 2-chloro-1,3-difluoro-4-nitrobenzene, this pyridinium salt offers enhanced selectivity and reactivity control in complex synthetic sequences. The specialized nature of this fluorinated reagent makes it particularly suited for research and development applications in medicinal chemistry, where precise molecular modification is essential. OYSI maintains reliable supply chains for this technical-grade chemical compound to support European industrial and research requirements.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H317

May cause an allergic skin reaction.

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

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

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 Number3261
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name2,6-Dichlor-1-fluorpyridiniumtetrafluorborat
Marine PollutantNo

Frequently Asked Questions

What is 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is a specialized organofluorine compound with the molecular formula C5H3BCl2F5N and CAS number 140623-89-8. This chemical belongs to the family of fluoropyridinium salts, featuring a pyridine ring substituted with chlorine and fluorine atoms, paired with a tetrafluoroborate anion. With a molecular weight of 253.79 g/mol, it is classified as a corrosive substance requiring careful handling due to its hazardous properties.

What are the physicochemical properties of 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is a crystalline solid at room temperature with a molecular weight of 253.79 g/mol. As an ionic compound containing fluorine and chlorine substituents, it typically exhibits good thermal stability and moderate solubility in polar solvents. The presence of multiple halogen atoms influences its reactivity and physical characteristics. Specific data on melting point, boiling point, and exact solubility parameters should be obtained from the manufacturer's technical specifications.

What is 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate used for?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is primarily used as a specialized reagent in organic synthesis and pharmaceutical intermediate production. Its unique fluoropyridinium structure makes it valuable for fluorination reactions and as a building block in medicinal chemistry. The compound serves as an electrophilic fluorinating agent and can be utilized in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials where precise fluorine incorporation is required.

How to handle 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate safely?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate requires careful handling due to its corrosive and sensitizing properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in a well-ventilated area or under a fume hood to avoid inhalation. Avoid direct skin and eye contact as the substance can cause severe burns and allergic reactions. Handle with non-metallic tools when possible and ensure proper training before use.

How to store 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate correctly?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture to prevent degradation. Store away from heat sources, strong bases, and reducing agents. Due to its corrosive nature, use corrosion-resistant containers and ensure storage areas have appropriate containment measures. Maintain temperatures below 25°C and protect from direct sunlight to ensure product stability and safety.

What to do in case of contact with 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate?

Immediate action is required if contact occurs with 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate. For skin contact, immediately remove contaminated clothing and flush the affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical help immediately. Always consult a physician and provide the safety data sheet.

How to dispose of 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate appropriately?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate must be disposed of as hazardous waste according to local and international regulations. Do not discharge into sewers, waterways, or the environment due to its aquatic toxicity classification. Contact licensed waste disposal companies specializing in hazardous chemical waste. The substance requires special handling due to its corrosive and environmentally harmful properties. Ensure proper documentation and follow REACH and local waste management regulations for safe disposal.

How to transport 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is classified under ADR Class 8 (Corrosive substances), Packing Group II, indicating it requires specialized transport procedures. The substance must be packaged in UN-approved containers suitable for corrosive materials and properly labeled with appropriate hazard placards. Transportation must comply with ADR/RID regulations for road and rail transport. Only authorized carriers experienced in handling corrosive chemicals should transport this substance, ensuring proper documentation and emergency response procedures.

Is 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate subject to specific regulations?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is subject to comprehensive chemical regulations including REACH registration requirements in the European Union and CLP classification as a corrosive and sensitizing substance. While not currently listed as an SVHC (Substance of Very High Concern), it requires proper safety data sheets, hazard communication, and worker protection measures. Companies must comply with occupational safety regulations, environmental protection laws, and proper notification procedures for manufacturing, import, and use within regulatory frameworks.

Where to buy 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate in Europe?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is available through OYSI, a trusted European distributor of specialized chemical products. OYSI provides reliable supply chains for laboratory and industrial customers across Europe, ensuring proper handling, documentation, and regulatory compliance. As a specialized chemical distributor, OYSI can provide technical support, safety data sheets, and certificates of analysis. Contact OYSI directly for availability, specifications, and delivery options to meet your specific research or industrial requirements.

Data Sources

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