(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
C19H25NO4
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Identification
- CAS Number
- 7696-12-0
- EC Number
- 231-711-6
- UN Number
- 3077
- Index Number
- 607-727-00-8
- PubChem CID
- 83975
Physical-chemical properties
- Molecular Formula
- C19H25NO4
- Molar Mass
- 331.40 g/mol
- IUPAC Name
- (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Chemical Identifiers
- InChI
- InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
- InChI Key
- CXBMCYHAMVGWJQ-UHFFFAOYSA-N
Overview
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CAS 7696-12-0) is a complex organic ester featuring both phthalimide and cyclopropane structural motifs with pyrethroid-like characteristics. This specialized chemical compound belongs to a class of synthetic organic molecules characterized by its unique combination of a tetrahydrophthalimide group linked to a substituted cyclopropanecarboxylate moiety. With the molecular formula C19H25NO4 and a molecular weight of 331.4 g/mol, this substance exhibits structural similarities to pyrethroid insecticides, particularly in its cyclopropane ring configuration with the characteristic 2-methylprop-1-enyl substituent. The compound presents significant safety considerations requiring careful handling protocols. Classified under multiple hazard categories including Carcinogenic Category 2, Acute Toxicity Category 4, and Specific Target Organ Toxicity Single Exposure Category 2, it demands appropriate protective measures during industrial use. The substance also poses environmental risks, being classified as Aquatic Acute Category 1 and Aquatic Chronic Category 1, necessitating strict containment procedures to prevent environmental release. Its ADR Class 9 classification requires specialized transport considerations. Industrial applications typically involve its use as an intermediate in organic synthesis, particularly in the development of agrochemical formulations and specialty chemical manufacturing. The compound's structural framework makes it valuable in pharmaceutical research applications and as a building block for more complex molecular architectures. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex ester functionality provides unique reactivity patterns suited for advanced synthetic transformations. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers requiring this technical-grade compound for their manufacturing processes.
Safety & Classification
Carc. 2; Acute Tox. 4; STOT SE 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
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 | Tetramethrin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is a synthetic organic compound with the molecular formula C19H25NO4 and CAS number 7696-12-0. This substance has a molecular weight of 331.4 g/mol and features a complex structure combining a tetrahydroisoindole moiety with a cyclopropane carboxylate group. It is classified as hazardous with carcinogenic properties, acute toxicity, and specific target organ toxicity, requiring careful handling in professional applications.
What are the physicochemical properties of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
This compound is an organic molecule with molecular formula C19H25NO4 and molecular weight 331.4 g/mol, indicating a relatively complex structure with moderate molecular size. The presence of both hydrophilic (dioxoisoindole) and hydrophobic (cyclopropane, methyl groups) moieties suggests amphiphilic character. Its specific physical properties such as melting point, boiling point, and solubility parameters would need to be determined experimentally, as these detailed physicochemical data are not readily available for this specialized compound.
What is (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate used for?
This compound is typically used as an intermediate in pharmaceutical synthesis and specialized chemical manufacturing processes. Its complex molecular structure, featuring both cyclopropane and tetrahydroisoindole functional groups, makes it valuable for developing bioactive compounds and pharmaceutical intermediates. Due to its hazardous classification including carcinogenic properties, its use is restricted to professional industrial applications with appropriate safety measures, particularly in research and development laboratories and specialized chemical manufacturing facilities.
How to handle (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate safely?
Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Carc. 2 and Acute Tox. 4 classifications. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure no ingestion occurs. Use appropriate engineering controls, maintain good hygiene practices, and follow STOT SE 2 precautions to prevent specific target organ toxicity. All personnel must be trained on proper handling procedures.
How to store (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate correctly?
Store this compound in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use tightly sealed, chemically compatible containers to prevent contamination and degradation. Due to its hazardous classification, storage areas must be secure and accessible only to authorized personnel. Keep separated from incompatible materials and ensure proper labeling with GHS pictograms GHS08, GHS07, and GHS09. Implement appropriate spill containment measures and maintain inventory records for regulatory compliance.
What to do in case of contact with (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
Immediate decontamination is essential due to the compound's toxic and potentially carcinogenic properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet for proper medical evaluation and treatment.
How to dispose of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate appropriately?
Disposal must comply with local and national hazardous waste regulations due to its classification as Carc. 2, Acute Tox. 4, and aquatic toxicity categories. The substance requires treatment at licensed hazardous waste facilities capable of handling carcinogenic materials. Never dispose of in regular waste streams or discharge to water systems given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact certified waste management companies and maintain proper documentation for regulatory compliance and traceability.
How to transport (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
Transport is regulated under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate hazard level. Packages must be properly labeled with appropriate hazard markings and UN identification numbers. Use approved packaging that meets ADR specifications for Class 9 substances. Transport documents must include proper shipping names and emergency response information. Vehicles must carry appropriate safety equipment and drivers require ADR certification for dangerous goods transport.
Is (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate subject to specific regulations?
Yes, this substance is subject to REACH regulation for chemical registration and CLP regulation for classification and labeling within the EU. While not currently listed as an SVHC (Substance of Very High Concern), its Carc. 2 classification subjects it to specific restrictions and handling requirements. Companies must comply with occupational exposure limits, implement risk management measures, and maintain safety data sheets. Additional regulations may apply depending on intended use, particularly in pharmaceutical applications or research activities.
Where to buy (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing professional-grade materials to qualified industrial customers. As an established chemical distributor, OYSI ensures proper handling, storage, and documentation compliance for hazardous substances. Due to the compound's hazardous classification, purchases are restricted to qualified professional users with appropriate facilities and safety measures. Contact OYSI directly to discuss availability, regulatory requirements, and technical specifications for your specific application needs.
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SDS Service
Request Safety Data Sheet for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Technical Consulting
Application advice for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate 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.