[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate
C21H24Cl2O4
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Identification
- CAS Number
- 148477-71-8
- UN Number
- 3077
- Index Number
- 607-730-00-4
- PubChem CID
- 177863
Physical-chemical properties
- Molecular Formula
- C21H24Cl2O4
- Molar Mass
- 411.30 g/mol
- IUPAC Name
- [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate
Chemical Identifiers
- InChI
- InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
- InChI Key
- DTDSAWVUFPGDMX-UHFFFAOYSA-N
Overview
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate (CAS 148477-71-8) is a spirocyclic organic compound with significant biological activity and regulatory classification concerns. This complex organochlorine compound features a distinctive spirocyclic structure combining a lactone ring system with a dichlorophenyl substituent and a dimethylbutanoate ester group. With a molecular formula of C21H24Cl2O4 and molecular weight of 411.3 g/mol, this substance represents an advanced synthetic intermediate in pharmaceutical and agrochemical applications. The presence of two chlorine atoms on the phenyl ring contributes to its enhanced stability and biological activity profile. The compound carries significant safety classifications under the CLP Regulation, including Category 1B carcinogenicity, Category 2 reproductive toxicity, and Category 2 specific target organ toxicity following repeated exposure. Additional hazards include skin sensitization potential and chronic aquatic toxicity. These classifications necessitate stringent handling protocols, specialized storage conditions, and comprehensive risk assessment procedures. The GHS08, GHS07, and GHS09 pictograms reflect its serious health hazards and environmental concerns. Transportation falls under ADR Class 9 (miscellaneous dangerous substances). Industrial applications typically include use as a synthetic intermediate in pharmaceutical manufacturing, particularly in the development of bioactive compounds. The spirocyclic framework makes it valuable in medicinal chemistry for creating novel drug candidates with improved pharmacokinetic properties. Its structural complexity also finds application in specialized agrochemical formulations. Unlike simpler aromatic compounds such as 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, this spirocyclic derivative offers unique three-dimensional molecular architecture essential for specific biological targets. OYSI maintains strategic inventory of this specialized compound to support European pharmaceutical and chemical manufacturing sectors, ensuring reliable supply for qualified industrial applications.
Safety & Classification
Carc. 1B; Repr. 2; STOT RE 2; Skin Sens. 1B; 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
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:
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 | Spirodiclofen (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is an organic chemical compound with CAS number 148477-71-8 and molecular formula C21H24Cl2O4. This substance has a molecular weight of 411.3 g/mol and features a complex spirocyclic structure containing dichlorophenyl and dimethylbutanoate moieties. It is classified as a hazardous chemical with significant health and environmental concerns, requiring careful handling procedures.
What are the physicochemical properties of [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is a solid organic compound with a molecular weight of 411.3 g/mol. The substance contains chlorine atoms and multiple functional groups including ester and ketone moieties. Its complex spirocyclic structure contributes to its chemical stability. Specific physical properties such as melting point, boiling point, and solubility data should be obtained from the safety data sheet for precise handling requirements.
What is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate used for?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is primarily used in specialized industrial applications requiring its specific chemical properties. Given its complex structure and hazard profile, it is typically employed in controlled professional environments such as pharmaceutical research, chemical synthesis, or specialized manufacturing processes. The substance requires proper authorization and expertise for handling due to its significant health and environmental hazards.
How to handle [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate safely?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate requires strict safety protocols due to its carcinogenic, reproductive, and sensitization hazards. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact and inhalation. Implement engineering controls to minimize exposure and ensure all personnel receive appropriate safety training before handling.
How to store [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate correctly?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use appropriate secondary containment and ensure containers are properly sealed and labeled. Storage areas should be restricted to authorized personnel only. Keep away from oxidizing agents and maintain temperature control according to manufacturer specifications. Regular inspection of storage conditions and container integrity is essential.
What to do in case of contact with [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?
Immediate action for contact with [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate includes removing contaminated clothing and flushing affected skin or eyes with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the substance's carcinogenic and reproductive hazards. Do not induce vomiting if ingested. Provide the safety data sheet to medical personnel for proper treatment guidance.
How to dispose of [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate properly?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate must be disposed of through authorized hazardous waste management facilities only. The substance requires specialized treatment due to its environmental persistence and toxicity profile. Contact licensed waste disposal companies with expertise in handling carcinogenic and environmentally hazardous materials. Never dispose of through regular waste streams or sewerage systems. Maintain proper documentation of disposal activities for regulatory compliance.
How to transport [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport must comply with ADR/RID regulations for road/rail transport and IATA/IMDG for air/sea transport. Use authorized carriers experienced in handling hazardous chemicals and ensure proper emergency response information accompanies shipments.
Is [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate subject to specific regulations?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is subject to comprehensive chemical regulations including REACH registration requirements and CLP classification as a Category 1B carcinogen and Category 2 reproductive toxicant. While not currently listed as an SVHC, its hazard profile requires strict compliance with occupational exposure limits and environmental protection measures. Users must ensure proper risk assessments, safety data sheets, and worker protection protocols are implemented according to European chemical legislation.
Where to buy [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate in Europe?
[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI provides this substance to qualified industrial users with proper handling capabilities and regulatory compliance. Purchase requires appropriate documentation, safety assessments, and adherence to restricted use protocols. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for this controlled chemical substance.
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[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate 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.