1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate

C6H13B2F9N2O

CAS162241-33-0
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
162241-33-0
EC Number
418-330-2
UN Number
Index Number
603-215-00-3
PubChem CID
2737329

Physical-chemical properties

Molecular Formula
C6H13B2F9N2O
Molar Mass
321.79 g/mol
IUPAC Name
1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate

Chemical Identifiers

InChI
InChI=1S/C6H13FN2O.2BF4/c7-8-1-4-9(10,5-2-8)6-3-8;2*2-1(3,4)5/h10H,1-6H2;;/q+2;2*-1
InChI Key
DRMMNFGYCLJZKD-UHFFFAOYSA-N

Overview

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate (CAS 162241-33-0) is a specialized bicyclic quaternary ammonium compound with explosive and fluorinating properties. This unique organofluorine compound represents an important class of specialized chemical reagents used in advanced synthetic chemistry applications. With the molecular formula C6H13B2F9N2O and a molecular weight of 321.79 g/mol, this tetrafluoroborate salt exhibits distinctive structural features that make it valuable for specific industrial processes requiring controlled fluorination reactions. The compound's bicyclic diazonia structure, combined with both fluoro and hydroxy substituents, provides unique reactivity patterns that distinguish it from simpler fluorinating agents. The presence of two tetrafluoroborate counterions contributes to its stability while maintaining the necessary reactivity for targeted applications. This dual nature makes it particularly useful in processes where controlled fluorine introduction is critical. Safety considerations are paramount when handling this material, as it carries multiple hazard classifications including explosive properties (Expl. 1.1), acute toxicity (Acute Tox. 4), and potential for serious eye damage (Eye Dam. 1). The compound also exhibits skin sensitization potential and aquatic toxicity, requiring specialized handling protocols and appropriate containment measures. Primary industrial applications include specialty fluorination reactions in pharmaceutical intermediate synthesis, advanced materials processing, and specialized organic transformations where conventional fluorinating agents prove inadequate. Unlike simpler compounds such as 4-nitrosophenol, this bicyclic system offers enhanced selectivity in complex molecular environments. OYSI maintains availability of this specialized reagent for qualified industrial customers requiring high-purity fluorinating agents for advanced chemical manufacturing processes.

Safety & Classification

Danger
Classification:

Expl. 1.1 ****; Acute Tox. 4 *; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic C...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H318

Causes serious 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

Irritant

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.

Frequently Asked Questions

What is 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is a specialized fluorinated organic compound with the molecular formula C6H13B2F9N2O and CAS number 162241-33-0. This bicyclic compound contains diazonia groups and tetrafluoroborate counterions, with a molecular weight of 321.79 g/mol. It is classified as an explosive substance with additional health and environmental hazards, requiring careful handling and storage protocols in professional applications.

What are the physicochemical properties of 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is a solid compound with a molecular weight of 321.79 g/mol. The presence of multiple fluorine atoms and tetrafluoroborate groups suggests limited water solubility but potential solubility in polar organic solvents. Its bicyclic structure with diazonia functionality contributes to its explosive nature and chemical reactivity. Specific physical properties such as melting point and appearance require verification from technical data sheets.

What is 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate used for?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is primarily used as a specialized reagent in organic synthesis and research applications. Its diazonia functionality makes it valuable for fluorination reactions and as an electrophilic fluorinating agent in pharmaceutical and fine chemical synthesis. Due to its explosive classification, it requires specialized handling procedures and is typically used in controlled laboratory environments by trained professionals for specific synthetic transformations.

How to handle 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate safely?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate requires extreme caution due to its explosive nature and toxicity. Essential PPE includes safety glasses, chemical-resistant gloves, and protective clothing. Work in a well-ventilated area or fume hood, away from heat sources and friction. Handle minimal quantities, avoid shock or impact, and ensure proper grounding of equipment. Emergency procedures should be established, and only trained personnel should handle this material following strict safety protocols.

How to store 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate correctly?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate must be stored in a cool, dry place away from heat, friction, and shock sources due to its explosive classification. Use appropriate explosive-rated storage facilities with temperature control and separation from incompatible materials. Keep containers tightly sealed and properly labeled. Storage areas should have restricted access, proper ventilation, and emergency response equipment. Follow local regulations for explosive materials storage and maintain detailed inventory records.

What to do in case of contact with 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate exposure requires immediate action due to its toxicity and corrosive properties. For skin contact, remove contaminated clothing and rinse with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention due to potential permanent eye damage. If inhaled, move to fresh air and seek medical help. For ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate appropriately?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate disposal requires specialized hazardous waste management due to its explosive and toxic nature. Contact licensed hazardous waste disposal companies experienced with explosive materials. Never dispose of in regular waste streams or sewers. Small quantities may require controlled destruction by qualified professionals. Follow local and national regulations for explosive waste disposal, maintain proper documentation, and ensure proper classification for transport to disposal facilities.

How to transport 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate transport requires compliance with dangerous goods regulations due to its explosive classification. Specialized packaging meeting UN specifications for explosive materials is mandatory. Transport must follow ADR/IATA dangerous goods protocols with proper documentation, labeling, and carrier certification. Only authorized carriers experienced with explosive materials should handle shipment. Quantities may be restricted, and special permits may be required depending on destination and transport mode.

Is 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate subject to specific regulations?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is subject to multiple regulatory frameworks including REACH registration, CLP classification, and explosive materials regulations. Its classification as Expl. 1.1 subjects it to strict explosive materials controls. The compound is not currently listed as SVHC under REACH but requires safety data sheets and hazard communication. Users must comply with occupational safety regulations, environmental protection laws, and may need special licenses for handling explosive materials.

Where to buy 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate in Europe?

1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate is available through OYSI, a specialized European distributor of technical chemicals. As an explosive material, purchase requires compliance with regulatory requirements and proper authorization. OYSI provides technical support, safety documentation, and ensures proper handling throughout the supply chain. Due to the specialized nature and hazard classification of this compound, availability may be subject to qualification processes and regulatory approvals for end-use applications.

Data Sources

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