Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate
C18H17Cl2NO3
ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate
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Identification
- CAS Number
- 22212-55-1
- EC Number
- 244-845-5
- UN Number
- 3082
- Index Number
- 607-154-00-3
- PubChem CID
- 31068
Physical-chemical properties
- Molecular Formula
- C18H17Cl2NO3
- Molar Mass
- 366.20 g/mol
- IUPAC Name
- ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate
Chemical Identifiers
- InChI
- InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
- InChI Key
- SLCGUGMPSUYJAY-UHFFFAOYSA-N
Overview
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate (CAS 22212-55-1) is an organic compound featuring a complex aromatic structure with dichloroaniline and benzoyl functional groups. This specialized chemical compound belongs to the family of substituted aniline derivatives, characterized by its molecular formula C18H17Cl2NO3 and molecular weight of 366.2 g/mol. The compound's structure incorporates multiple functional groups including an ethyl ester, a dichlorinated aromatic ring, and an N-benzoyl substituent, making it a versatile intermediate in organic synthesis applications. From a safety perspective, ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is classified under multiple hazard categories requiring careful handling protocols. The compound carries Acute Toxicity Category 4 classification with aquatic toxicity concerns for both acute and chronic exposure scenarios. Safety measures include appropriate personal protective equipment and environmental containment procedures, as indicated by its GHS07 and GHS09 pictograms with Warning signal word. Transportation falls under ADR Class 9 miscellaneous dangerous goods classification. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The compound serves as a building block in the development of bioactive molecules and advanced materials. Its structural complexity makes it particularly valuable in research and development applications where precise molecular architecture is required, similar to how compounds like 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline serve as specialized intermediates in agrochemical synthesis. OYSI maintains reliable supply chains for this technical grade compound, supporting European industrial customers with consistent quality and regulatory compliance documentation for specialized chemical manufacturing requirements.
Safety & Classification
Acute Tox. 4 *; 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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Benzoylprop-ethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is an organic chemical compound with CAS number 22212-55-1 and molecular formula C18H17Cl2NO3. This substance has a molecular weight of 366.2 g/mol and belongs to the class of substituted aniline derivatives. It contains dichloroaniline and benzoyl functional groups attached to a propanoate ester backbone, making it a complex aromatic compound used in specialized chemical applications.
What are the physicochemical properties of ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is a solid organic compound with a molecular weight of 366.2 g/mol. The presence of dichloroaniline groups and the ester functionality influence its solubility characteristics. As an aromatic compound containing chlorine substituents, it typically exhibits limited water solubility but good solubility in organic solvents. The compound's melting point and other specific physical properties depend on its crystal structure and intermolecular interactions.
What is ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate used for?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The compound serves as a building block for the manufacture of more complex molecules, particularly those requiring dichloroaniline or benzoyl structural elements. Its specific chemical structure makes it valuable in research and development applications, as well as in the production of specialty chemicals requiring precise molecular architectures for biological or industrial activity.
How to handle ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate safely?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Operators must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid inhalation, skin contact, and ingestion. The GHS07 pictogram indicates potential health hazards, so minimize exposure and follow established safety protocols during handling operations.
How to store ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate correctly?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to CLP regulations. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure containment measures prevent environmental release. Store away from oxidizing agents and strong bases that might react with the ester or aniline functionalities. Regular inventory checks help maintain product quality and safety compliance.
What to do in case of contact with ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?
In case of skin contact with ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate, immediately remove contaminated clothing and wash the affected area thoroughly 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. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid measures and contact emergency services if necessary.
How to dispose of ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate appropriately?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate must be disposed of according to local and national hazardous waste regulations due to its toxicity and environmental hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact authorized hazardous waste disposal companies for proper treatment and disposal. Incineration at appropriate high-temperature facilities may be suitable, following regulatory requirements and obtaining necessary permits.
How to transport ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate 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. Containers must be properly marked with the correct shipping name, UN number, and hazard labels. Transport vehicles need placarding, and drivers require appropriate training. Consult current ADR regulations and work with certified dangerous goods carriers for compliant transportation.
Is ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate subject to specific regulations?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is subject to CLP regulation for classification, labeling, and packaging due to its hazard classifications (Acute Tox. 4, Aquatic Acute 1, Aquatic Chronic 1). The substance falls under REACH regulation requiring registration for manufacturing or import above certain tonnage thresholds. Currently, it is not identified as a SVHC (Substance of Very High Concern). Companies must comply with occupational safety regulations and environmental protection requirements when handling this classified hazardous substance.
Where to buy ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate in Europe?
Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring proper documentation, safety data sheets, and regulatory compliance. As a controlled substance requiring proper handling and disposal, purchases are typically restricted to qualified professionals with appropriate facilities and safety measures. Contact OYSI directly for availability, specifications, and ordering requirements for this specialized chemical compound.
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Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate 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.