[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
C23H32N2O4
Consulting for [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
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Identification
- CAS Number
- 243973-20-8
- UN Number
- 3077
- Index Number
- 607-726-00-2
- PubChem CID
- 210326
Physical-chemical properties
- Molecular Formula
- C23H32N2O4
- Molar Mass
- 400.50 g/mol
- IUPAC Name
- [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
Chemical Identifiers
- InChI
- InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3
- InChI Key
- MGOHCFMYLBAPRN-UHFFFAOYSA-N
Overview
[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate (CAS 243973-20-8) is a complex heterocyclic compound with oxadiazepine structure featuring reproductive toxicity properties. This specialized chemical compound represents an advanced pyrazolo-oxadiazepine derivative with a molecular formula of C23H32N2O4 and molecular weight of 400.5 g/mol. The molecule features a distinctive bicyclic core structure incorporating both pyrazole and oxadiazepine rings, substituted with a diethyl-methylphenyl group and terminated with a dimethylpropanoate ester. This sophisticated architecture provides unique chemical properties that distinguish it from simpler aromatic compounds like 1,4-dichlorobenzene or sulfonamide derivatives such as 6-amino-N-methylnaphthalene-2-sulfonamide. The compound exhibits significant safety considerations, classified with multiple hazard categories including reproductive toxicity (Category 2), acute toxicity (Category 4), skin sensitization (Category 1A), and environmental concerns for aquatic life. The presence of GHS08, GHS07, and GHS09 pictograms indicates health, irritation, and environmental hazards respectively. Transportation falls under ADR Class 9 for miscellaneous dangerous substances, requiring appropriate handling protocols and safety documentation. Primary industrial applications include pharmaceutical intermediate synthesis, where the complex heterocyclic structure serves as a building block for drug development programs. The compound also finds use in specialized research applications focusing on bioactive molecule synthesis and advanced organic chemistry studies. Additional applications may include agrochemical intermediate production, where the oxadiazepine core provides structural diversity for crop protection compound development. OYSI maintains reliable supply capabilities for this specialized chemical compound, ensuring consistent availability for European industrial and research customers requiring high-quality heterocyclic intermediates.
Safety & Classification
Repr. 2; Acute Tox. 4; Acute Tox. 4; STOT SE 3; Eye Irrit. 2; Skin Sens. 1A; Aquatic Acute 1; Aqu...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Harmful if inhaled.
Harmful if swallowed.
May cause respiratory irritation.
Causes serious eye irritation.
May cause an allergic skin reaction.
Very toxic to aquatic life.
Harmful to aquatic life with long lasting effects.
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
Inhalation
Measures if vapours or dust are inhaled
Skin Contact
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
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Pinoxaden (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate?
[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate is a complex organic compound with the molecular formula C23H32N2O4 and CAS number 243973-20-8. This substance has a molecular weight of 400.5 g/mol and features a heterocyclic oxadiazepin ring structure combined with substituted phenyl and dimethylpropanoate groups. It is classified as hazardous with reproductive toxicity category 2 and requires careful handling due to its multiple health and environmental hazards.
What are the physicochemical properties of [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate?
This compound is a solid organic substance with a molecular weight of 400.5 g/mol and molecular formula C23H32N2O4. The complex heterocyclic structure containing nitrogen and oxygen atoms, along with multiple aromatic and aliphatic substituents, influences its physicochemical behavior. The presence of both hydrophobic aromatic groups and polar functional groups affects its solubility characteristics. Detailed physical properties such as melting point, density, and specific solubility data would require analytical characterization for precise determination.
What is [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate used for?
This compound is primarily used as an intermediate or active ingredient in pharmaceutical and agrochemical applications due to its complex heterocyclic structure. The oxadiazepin ring system and specific substitution pattern suggest potential biological activity, making it valuable for research and development in medicinal chemistry. Its applications may include use in the synthesis of pharmaceutical compounds or as a research chemical for studying biological pathways. Industrial applications would typically be limited to specialized chemical manufacturing processes.
How to handle [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Acute Tox. 4, Eye Irrit. 2, and Skin Sens. 1A classifications. Work should be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Use proper laboratory techniques with sealed containers to minimize exposure. Emergency eyewash stations and safety showers should be readily accessible when working with this substance.
How to store [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate correctly?
Proper storage requires keeping the substance in tightly sealed, properly labeled containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its reproductive toxicity and multiple hazard classifications, storage should be in a restricted access area with appropriate warning signs. Containers should be made of compatible materials and checked regularly for integrity. Secondary containment may be advisable to prevent environmental release, given its Aquatic Acute 1 classification. Follow local regulations for hazardous chemical storage.
What to do in case of contact with [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate?
Immediate first aid measures include flushing affected skin or eyes with plenty of clean water for at least 15 minutes and removing contaminated clothing. For eye contact, ensure thorough irrigation and seek immediate medical attention due to the Eye Irrit. 2 classification. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention due to the Acute Tox. 4 classification. Always consult the safety data sheet and contact emergency medical services for serious exposures.
How to dispose of [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate appropriately?
Disposal must be conducted through authorized hazardous waste management companies in accordance with local, national, and EU waste regulations. The substance cannot be disposed of in regular waste streams due to its multiple hazard classifications including reproductive toxicity and aquatic toxicity. Container disposal requires triple rinsing and treatment as hazardous waste. Incineration at approved high-temperature facilities may be suitable depending on composition. Always consult local environmental authorities and follow REACH waste management requirements for proper disposal procedures.
How to transport [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate?
Transportation is regulated under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating moderate danger during transport. Packaging must meet UN specification requirements for Class 9 substances, with proper labeling including UN numbers, proper shipping names, and hazard labels. Transport documents must include emergency response information and contact details. Vehicles must carry appropriate emergency equipment and drivers require ADR training. Air and sea transport follow IATA and IMDG regulations respectively for Class 9 substances.
Is [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate subject to specific regulations?
The substance is subject to REACH regulation requiring registration, evaluation, and authorization within the EU, though it is not currently identified as a Substance of Very High Concern (SVHC). CLP regulation applies for classification and labeling as Repr. 2, Acute Tox. 4, STOT SE 3, Eye Irrit. 2, Skin Sens. 1A, and Aquatic Acute 1. Safety data sheets must be provided to downstream users. Workplace exposure limits and reproductive toxicity regulations may apply depending on intended use and local legislation.
Where to buy [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing professional supply chain management and regulatory compliance support. As an established chemical distributor, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for European customers. The compound's specialized nature and multiple hazard classifications require experienced handling and distribution channels. Contact OYSI directly for availability, packaging options, and delivery arrangements throughout Europe, ensuring compliance with local transportation and handling requirements for this regulated substance.
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[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate 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.