[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
C6H9NO6
Consulting for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 16051-77-7
- EC Number
- 240-197-2
- UN Number
- 3251
- PubChem CID
- 27661
Physical-chemical properties
- Molecular Formula
- C6H9NO6
- Molar Mass
- 191.14 g/mol
- IUPAC Name
- [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Chemical Identifiers
- InChI
- InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
- InChI Key
- YWXYYJSYQOXTPL-SLPGGIOYSA-N
Overview
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate (CAS 16051-77-7) is a bicyclic furan derivative featuring a nitrate ester functional group and stereochemically defined hydroxyl substitution. This specialized organic compound belongs to the family of nitrate esters derived from bicyclic sugar alcohols, characterized by its unique hexahydrofuro[3,2-b]furan ring system. With the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol, this substance exhibits distinct stereochemistry with four defined chiral centers, making it particularly valuable for applications requiring high stereoselectivity. The compound's structure combines the stability of the fused furan ring system with the reactivity of both hydroxyl and nitrate ester functionalities. The substance is classified under ADR Class 4.1 as a flammable solid, indicating controlled handling requirements during transportation and storage. Despite this classification, it presents relatively moderate safety concerns compared to more energetic nitrate compounds like those found in the 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane family. The nitrate ester group provides potential for controlled decomposition, while the hydroxyl functionality offers additional chemical modification possibilities. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, particularly in the development of nitrate-based vasodilators, and as a specialized reagent in organic synthesis requiring stereospecific nitrate ester functionality. The compound also finds application in materials science for the preparation of energetic polymers and controlled-release systems. As a European distributor of technical chemicals, OYSI maintains reliable supply chains for this specialized nitrate ester compound, ensuring consistent quality and regulatory compliance for industrial customers across various sectors.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 3251 |
| ADR Class | 4.1 |
| Packing Group | III |
| Tunnel Code | D |
| Proper Shipping Name | Isosorbid-5-mononitrat |
| Marine Pollutant | No |
Frequently Asked Questions
What is [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is an organic nitrate compound with the molecular formula C6H9NO6 and CAS number 16051-77-7. This chemical features a bicyclic furofuran structure with a hydroxyl group and nitrate ester functionality. It has a molecular weight of 191.14 g/mol and belongs to the class of nitrate esters, which are commonly used in pharmaceutical and chemical applications.
What are the physicochemical properties of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is a solid compound at room temperature with a molecular weight of 191.14 g/mol. As a nitrate ester, it typically exhibits moderate polarity due to the presence of both hydroxyl and nitrate functional groups. The bicyclic structure provides stability, while the nitrate group may contribute to energetic properties. Specific physical properties such as melting point, solubility, and appearance may vary depending on purity and crystalline form.
What is [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate used for?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate serves primarily as a chemical intermediate in pharmaceutical synthesis and organic chemistry research. Its unique bicyclic structure and nitrate functionality make it valuable for developing specialized compounds. The substance may also be used in academic research for studying nitrate ester chemistry and stereochemical applications. Its specific stereochemistry makes it particularly useful for enantioselective synthesis and chiral compound development.
How to handle [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate safely?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate should be handled with standard laboratory safety protocols. Wear appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. As a nitrate compound, avoid exposure to heat, friction, or incompatible materials. Handle with care to prevent decomposition. Always follow good laboratory practices and consult safety data sheets for specific handling requirements.
How to store [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate properly?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate should be stored in a cool, dry place away from heat sources, direct sunlight, and incompatible materials. Keep containers tightly closed and in original packaging when not in use. As a nitrate compound, store separately from reducing agents, metals, and organic materials that could cause unwanted reactions. Maintain storage temperatures below room temperature if possible and ensure adequate ventilation in storage areas.
What to do in case of contact with [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
Immediate action for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate contact includes removing contaminated clothing and flushing affected skin or eyes with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Do not induce vomiting if ingested; rinse mouth with water if conscious. Seek medical attention for any significant exposure or if symptoms develop. Keep affected persons warm and at rest. Contact emergency services if serious symptoms occur.
How to dispose of [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate appropriately?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate waste must be disposed of through licensed hazardous waste disposal companies in accordance with local and European regulations. Do not dispose of in regular waste streams or pour down drains. Collect waste in appropriate containers, clearly labeled with contents and hazard information. As a nitrate compound, special handling may be required during disposal. Contact your local environmental authorities or waste management services for specific disposal requirements in your region.
How to transport [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is classified under ADR Class 4.1 (Flammable solids), Packing Group III. This classification requires appropriate packaging, labeling, and documentation during transport. Packages must meet UN specification requirements and display proper hazard labels. Transport vehicles need appropriate placarding and drivers require ADR certification. Ensure packages are secured against movement and protected from damage during transit. Follow all applicable dangerous goods regulations for road transport within Europe.
Is [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate subject to specific regulations?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is subject to standard European chemical regulations including REACH registration requirements for importers and manufacturers. The substance is not classified as SVHC (Substance of Very High Concern) under current regulations. However, as a chemical substance, it must comply with CLP regulation for classification, labeling, and packaging. Users must follow workplace safety regulations and may need to register use depending on quantities handled. Always verify current regulatory status before use.
Where to buy [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate in Europe?
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation and regulatory compliance. As a specialized chemical, this compound is typically available for research institutions, pharmaceutical companies, and qualified industrial users. Contact OYSI directly for availability, specifications, and ordering information. Ensure your organization meets any regulatory requirements for purchasing and handling this chemical substance.
Services for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Order [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Technical Consulting
Application advice for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.