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 strong electrophilic properties and corrosive characteristics. This specialized organohalogen compound represents an important class of fluorinated heterocyclic intermediates widely utilized in advanced organic synthesis and pharmaceutical chemistry. The compound features a unique pyridinium core structure with strategic chlorine substitutions at positions 2 and 6, combined with fluorine functionalization that significantly enhances its reactivity profile. The tetrafluoroborate counterion provides excellent stability and solubility characteristics in polar organic solvents, making it particularly valuable for synthetic applications requiring controlled fluorination reactions. From a safety perspective, this compound exhibits significant hazard properties requiring careful handling protocols. Classified as Acute Tox. 4 with skin corrosion 1B characteristics, it demands appropriate personal protective equipment and controlled laboratory environments. The compound also presents skin sensitization potential and demonstrates high aquatic toxicity, necessitating proper waste management procedures in accordance with environmental regulations. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where its unique reactivity enables the introduction of fluorine atoms into complex molecular frameworks. The compound serves as an effective fluorinating agent in medicinal chemistry applications, particularly for developing fluorinated pharmaceuticals with enhanced bioavailability. Additionally, it finds application in agrochemical synthesis and specialty materials development, where controlled fluorination reactions are essential. Unlike simpler halogenated compounds such as 2-chloro-1,3-difluoro-4-nitrobenzene, this pyridinium salt offers superior selectivity in nucleophilic substitution reactions, making it particularly valuable for complex synthetic transformations. OYSI maintains reliable supply chains for this specialized fluorinating reagent, supporting European pharmaceutical and chemical industries with consistent quality and regulatory compliance.

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 fluorinated pyridinium salt with the molecular formula C5H3BCl2F5N and CAS number 140623-89-8. This specialized chemical compound has a molecular weight of 253.79 g/mol and contains both chlorine and fluorine substituents on the pyridine ring, making it a valuable intermediate in pharmaceutical and agrochemical synthesis.

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 with high chemical stability due to its fluorinated structure. The compound exhibits ionic characteristics due to the tetrafluoroborate counterion, affecting its solubility profile. Its multiple halogen substituents contribute to its unique reactivity profile and make it suitable for specialized chemical transformations in organic synthesis.

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 combination of chlorine and fluorine substituents makes it valuable for creating complex molecular structures. The compound serves as a building block in medicinal chemistry and advanced material synthesis where selective halogenation patterns are required.

How should 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate be handled safely?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats due to its Skin Corr. 1B classification. Work should be conducted in well-ventilated areas or under fume hoods. The compound can cause skin sensitization and acute toxicity, necessitating strict adherence to safety protocols and immediate medical attention if exposure occurs.

How should 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate be stored properly?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from physical damage and moisture. Due to its corrosive nature, use chemically resistant storage containers and ensure proper labeling. Store separately from bases, reducing agents, and water-reactive materials to prevent unwanted reactions.

What should be done in case of contact with 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate contact requires immediate action due to its corrosive properties. For skin contact, immediately flush with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse continuously with water and seek immediate medical attention. If inhaled, move to fresh air immediately. Always seek professional medical advice after any exposure incident.

How should 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate be disposed of properly?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate must be disposed of as hazardous waste in accordance with local and international environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact licensed waste disposal companies for proper treatment. Never dispose of down drains or in regular waste. Follow all applicable waste management protocols and maintain proper documentation for disposal activities.

How should 2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate be transported?

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is classified as ADR Class 8 (Corrosive substances), Packing Group II, requiring specialized transport procedures. Packages must meet UN specification requirements for corrosive materials and be properly labeled with hazard placards. Transport should only be conducted by trained personnel familiar with dangerous goods regulations and emergency response procedures for corrosive substances.

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

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is regulated under CLP classification with Danger signal word and multiple hazard pictogrammes (GHS05, GHS07, GHS09). It falls under REACH registration requirements for chemical substances in Europe. The compound is not currently listed as an SVHC substance, but users must comply with occupational exposure limits and environmental protection measures due to its hazardous properties.

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

2,6-dichloro-1-fluoropyridin-1-ium tetrafluoroborate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this specialized reagent to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. Contact OYSI directly for availability, technical specifications, and regulatory documentation to ensure compliance with your specific application requirements and local regulations.

Data Sources

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