2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
C19H15FN2O4
Consulting for 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
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Identification
- CAS Number
- 103361-09-7
- UN Number
- 3077
- Index Number
- 613-166-00-X
- PubChem CID
- 92425
Physical-chemical properties
- Molecular Formula
- C19H15FN2O4
- Molar Mass
- 354.30 g/mol
- IUPAC Name
- 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Chemical Identifiers
- InChI
- InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
- InChI Key
- FOUWCSDKDDHKQP-UHFFFAOYSA-N
Overview
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CAS 103361-09-7) is a complex heterocyclic organic compound featuring benzoxazine and tetrahydroisoindole structural motifs with fluorine substitution. This sophisticated chemical compound represents an advanced example of heterocyclic chemistry, incorporating both benzoxazine and isoindole ring systems within a single molecular framework. With a molecular formula of C19H15FN2O4 and molecular weight of 354.3 g/mol, this substance demonstrates the complexity achievable in modern synthetic organic chemistry. The presence of fluorine substitution at the 7-position of the benzoxazine ring, combined with the prop-2-ynyl side chain, contributes to its unique chemical properties and potential biological activity. The compound's classification under reproductive toxicity category 2 and acute aquatic toxicity category 1 requires careful handling protocols and environmental considerations. The GHS08 pictogram indicates potential health hazards, while GHS09 signifies environmental dangers, particularly to aquatic ecosystems. These safety characteristics place it in ADR class 9 for transportation purposes, designating it as a miscellaneous dangerous substance. Primary industrial applications include specialized pharmaceutical intermediate synthesis, advanced materials research, and potential use in agrochemical development. The compound's structural complexity makes it valuable for medicinal chemistry applications where specific receptor interactions are required. Unlike simpler compounds such as 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline, this molecule's dual ring system offers enhanced selectivity potential in biological systems. Research applications often focus on its potential as a building block for more complex pharmaceutical compounds, particularly in areas requiring precise molecular recognition. The benzoxazine moiety is particularly valued in materials science for its thermal stability and unique polymerization properties. OYSI maintains reliable supply chains for this specialized compound, supporting European research institutions and pharmaceutical companies with consistent availability and technical support.
Safety & Classification
Repr. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Flumioxazin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is a complex organic chemical compound with CAS number 103361-09-7 and molecular formula C19H15FN2O4. This synthetic molecule features a benzoxazine ring system combined with a tetrahydroisoindole-dione structure, incorporating fluorine and alkyne functional groups. With a molecular weight of 354.3 g/mol, it belongs to specialized chemical intermediates used in pharmaceutical and research applications.
What are the physicochemical properties of 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is a solid crystalline compound at room temperature with a molecular weight of 354.3 g/mol. The presence of fluorine, carbonyl groups, and aromatic rings influences its polarity and solubility characteristics. The compound's stability and reactivity are affected by the alkyne group and the benzoxazine ring system, requiring careful handling and storage conditions.
What is 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione used for?
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is primarily used as a specialized chemical intermediate in pharmaceutical research and development. Its unique molecular structure makes it valuable for medicinal chemistry applications, particularly in the synthesis of bioactive compounds. The compound may also serve as a building block for advanced materials research and organic synthesis projects requiring specific functional group combinations.
How to handle 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and laboratory coats due to its Repr. 2 classification. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. The compound requires careful handling protocols as indicated by the GHS08 pictogram, suggesting potential health hazards. Avoid direct skin contact and ensure proper training for personnel handling this material in laboratory or industrial settings.
How to store 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione correctly?
Proper storage requires cool, dry conditions away from direct sunlight and heat sources to maintain chemical stability. Store in tightly sealed containers made of compatible materials, preferably in a dedicated chemical storage area with appropriate ventilation. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure containment measures prevent environmental release. Separate from incompatible materials and maintain proper labeling according to GHS requirements with Warning signal word.
What to do in case of contact with 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
Immediate first aid involves removing contaminated clothing and flushing affected skin or eyes with copious amounts of clean water for at least 15 minutes. If inhaled, move the person to fresh air immediately and monitor breathing. Due to the Repr. 2 classification, seek immediate medical attention for any significant exposure. Do not induce vomiting if swallowed. Contact poison control or emergency medical services while providing the safety data sheet to medical personnel.
How to dispose of 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione properly?
Disposal must comply with local and national hazardous waste regulations due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper handling and destruction. Never dispose of this material in regular trash or pour down drains due to its aquatic toxicity. Maintain detailed waste disposal records and ensure containers are properly labeled before transfer to waste management facilities.
How to transport 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
Transportation follows ADR Class 9 (Miscellaneous Dangerous Goods) regulations with Packing Group III classification. Use appropriate UN-specification packaging designed for Class 9 materials, ensuring proper labeling and documentation. Transport vehicles must comply with ADR requirements including proper segregation from incompatible materials. Shipping documentation must include proper shipping names, hazard class, and emergency contact information. Only qualified personnel should handle transportation arrangements.
Is 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione subject to special regulations?
Yes, this compound is subject to REACH registration requirements for European markets and must comply with CLP regulation for classification and labeling. While not currently listed as a SVHC (Substance of Very High Concern), its Repr. 2 classification requires special attention under worker protection regulations. Companies must maintain safety data sheets, implement risk management measures, and ensure proper training for handling personnel according to European chemical safety legislation.
Where to buy 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione in Europe?
OYSI serves as a reliable European distributor for 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione, providing comprehensive technical support and regulatory compliance assistance. As a specialized chemical distributor, OYSI ensures proper handling, storage, and transportation according to European regulations. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location within Europe.
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SDS Service
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Technical Consulting
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REACH Safety Data Sheet
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Digital Product Passport
EU-compliant product documentation
ADR Consulting for 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione 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.