Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate
C19H17Cl2NO4
ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate
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Identification
- CAS Number
- 142891-20-1
- UN Number
- 3077
- Index Number
- 616-107-00-6
- PubChem CID
- 5851439
Physical-chemical properties
- Molecular Formula
- C19H17Cl2NO4
- Molar Mass
- 394.20 g/mol
- IUPAC Name
- ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate
Chemical Identifiers
- InChI
- InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-
- InChI Key
- NNKKTZOEKDFTBU-YBEGLDIGSA-N
Overview
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate (CAS 142891-20-1) is a chlorinated aromatic compound with phthalimide functionality and alkene characteristics. This complex organic molecule represents a specialized chemical intermediate featuring multiple functional groups that contribute to its unique properties and applications. With a molecular formula of C19H17Cl2NO4 and molecular weight of 394.2 g/mol, this compound contains two chlorine atoms strategically positioned on both the aromatic ring and the alkene chain, along with a tetrahydroisoindol group that provides structural rigidity and specific reactivity patterns. The compound's Z-configuration indicates a specific stereochemical arrangement around the double bond, which is crucial for its biological and chemical activity. The presence of the ethyl ester group enhances its solubility characteristics and provides a reactive site for further chemical transformations. Unlike simpler aromatic compounds such as 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline, this molecule's phthalimide moiety contributes to its distinct photochemical and thermal stability properties. Safety considerations are paramount when handling this substance, as it is classified as a Category 2 carcinogen and skin sensitizer. The compound also presents significant environmental concerns with acute and chronic aquatic toxicity classifications, requiring appropriate containment and disposal protocols. Its ADR Class 9 designation reflects its miscellaneous dangerous goods classification for transport purposes. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials manufacturing. The compound's unique structural features make it valuable in developing agrochemical formulations and as a building block for complex organic synthesis pathways. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Carc. 2; Skin Sens. 1; 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
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 | Cinidonethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is a complex organic compound with molecular formula C19H17Cl2NO4 and CAS number 142891-20-1. This chlorinated aromatic ester has a molecular weight of 394.2 g/mol and contains both phthalimide and chlorinated phenyl structural elements. It is classified as a Category 2 carcinogen and skin sensitizer under CLP regulation, requiring careful handling in industrial applications.
What are the physicochemical properties of ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is a solid compound with a molecular weight of 394.2 g/mol. As a chlorinated aromatic ester containing phthalimide groups, it likely exhibits limited water solubility but good solubility in organic solvents. The presence of two chlorine atoms and the extended conjugated system contribute to its stability and specific reactivity profile. Exact physical parameters should be obtained from the technical datasheet.
What is ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate used for?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its complex structure containing phthalimide and chlorinated phenyl groups makes it valuable for developing specialized chemical compounds. The substance may also serve in agrochemical synthesis or as a research chemical in academic and industrial laboratories requiring specific structural motifs for drug discovery or material science applications.
How to handle ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate safely?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate requires careful handling due to its carcinogenic potential and skin sensitizing properties. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin and eye contact completely. Use appropriate respiratory protection when necessary and ensure personnel are trained in handling Category 2 carcinogens according to occupational safety standards.
How to store ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate correctly?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from ignition sources. Keep containers away from incompatible materials and ensure proper labeling with GHS pictograms. Storage areas must be designed for carcinogenic substances with appropriate containment measures. Temperature-controlled storage is recommended to maintain stability, and inventory should be managed using first-in-first-out principles to ensure product quality.
What to do in case of contact with ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate?
Immediate action is required upon contact with ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate due to its skin sensitizing properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases and inform medical personnel of the carcinogenic nature of the substance.
How to dispose of ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate appropriately?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate must be disposed of as hazardous waste through licensed waste management companies specializing in carcinogenic substances. The compound cannot be disposed of in regular waste streams due to its classification as a Category 2 carcinogen and environmental hazard. Follow local and national regulations for hazardous waste disposal, maintain proper documentation, and use appropriate packaging and labeling. Incineration at authorized high-temperature facilities is typically the preferred disposal method.
How to transport ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III. Transportation requires appropriate UN-specification packaging with proper hazard labels and documentation. Vehicles must comply with ADR requirements for Class 9 substances, and drivers need appropriate training certification. Shipping documentation must include the correct shipping name, hazard class, and emergency response information. Ensure packages are secure and properly marked with GHS pictograms and handling instructions.
Is ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate subject to specific regulations?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is subject to REACH registration requirements and CLP classification regulations in Europe. While not currently listed as an SVHC, its Category 2 carcinogen classification requires compliance with occupational exposure limits and worker protection measures. The substance must be handled according to carcinogen workplace regulations, and its aquatic toxicity classification may trigger additional environmental protection requirements. Users must maintain safety data sheets and ensure proper risk assessments are conducted.
Where to buy ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate in Europe?
Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with full regulatory compliance, including proper classification under CLP regulation and ADR transportation requirements. As an established chemical distributor, OYSI ensures quality documentation, safety data sheets, and reliable supply chain management for research institutions and industrial customers across Europe requiring this specialized organic intermediate.
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Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate 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.