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

CAS142891-20-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 ester compound with phthalimide functionality and geometric Z-configuration. 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 combines a chlorinated phenyl ring system with a tetrahydroisoindole moiety, creating a structure with distinct reactivity patterns. The Z-configuration of the double bond in the prop-2-enoate chain influences both its physical properties and biological activity profile. From a safety perspective, this substance requires careful handling due to its classification as a Category 2 carcinogen and skin sensitizer. The compound also presents significant environmental concerns, being classified as acutely and chronically toxic to aquatic life. The GHS08, GHS07, and GHS09 pictograms reflect these health and environmental hazards, while its ADR Class 9 classification indicates it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically involve its use as a synthetic intermediate in pharmaceutical manufacturing and specialty chemical production. The phthalimide group provides excellent protecting group functionality, while the chlorinated aromatic system offers selective reactivity for further chemical modifications. Unlike simpler compounds such as 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline, this molecule's complex structure enables highly specific synthetic transformations in advanced organic synthesis. This technical-grade chemical intermediate is available through OYSI's European distribution network for qualified industrial customers requiring specialized organic building blocks.

Safety & Classification

Warning
Classification:

Carc. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

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

Skin Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameCinidonethyl (ISO)
Marine PollutantNo

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 an organic chemical compound with the molecular formula C19H17Cl2NO4 and CAS number 142891-20-1. This complex molecule has a molecular weight of 394.2 g/mol and contains both chlorinated aromatic rings and an isoindoline structure. It is classified as a hazardous substance with carcinogenic potential (Category 2), skin sensitization properties, and high aquatic toxicity, 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 organic compound at room temperature with a molecular weight of 394.2 g/mol. The presence of chlorine atoms and the ethyl ester group influence its solubility characteristics, typically showing better solubility in organic solvents than in water. The Z-configuration indicates specific stereochemistry around the double bond, which affects its physical properties and reactivity patterns.

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 pharmaceutical synthesis and fine chemical manufacturing. Its complex structure containing both chlorinated aromatic systems and isoindoline moieties makes it valuable for developing bioactive compounds. The substance may also serve as a building block in research applications for drug discovery and specialty chemical synthesis requiring specific structural features.

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 sensitization properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct skin contact and use appropriate respiratory protection when handling powders or during operations that may generate aerosols.

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 place away from direct sunlight. Due to its hazardous classification, storage areas must be well-ventilated and equipped with appropriate safety measures. Keep away from incompatible materials such as strong oxidizers and bases. Storage should comply with local regulations for carcinogenic substances and include proper labeling and restricted access protocols.

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?

Skin contact with ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. Given the substance's carcinogenic classification and sensitization potential, seek medical advice in all cases of significant exposure and inform healthcare providers of the specific chemical involved.

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. Due to its carcinogenic classification and environmental hazard properties, it cannot be disposed of through regular waste streams. Disposal must comply with local and European waste regulations, including proper documentation and tracking. Incineration at high temperatures in authorized facilities is typically the preferred disposal method for such organic compounds.

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 packaging that meets UN specifications for Class 9 materials. Proper hazard labels and documentation must accompany shipments, including safety data sheets. Transport vehicles should be equipped with appropriate emergency equipment, and drivers must be trained in handling hazardous materials according to ADR regulations.

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 special 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 obligations in Europe. Its carcinogenic classification (Category 2) subjects it to specific handling and workplace exposure regulations. While not currently listed as an SVHC, its hazard profile requires compliance with occupational safety regulations and environmental protection measures. Users must ensure proper risk assessments, safety data sheet distribution, and worker protection programs are in place.

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 European distributor specializing in technical chemicals and pharmaceutical intermediates. OYSI provides comprehensive support including regulatory documentation, safety data sheets, and technical assistance for this specialized compound. As a professional chemical distributor, OYSI ensures compliance with European regulations and provides reliable supply chains for research institutions and industrial customers requiring this specific intermediate.

Services for Ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate

ADR Consulting for 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 dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.