Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate

C18H17Cl2NO3

ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate

CAS22212-55-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 dichloroaniline and benzoyl functional groups with propanoate ester structure. This specialized chemical compound belongs to the family of substituted aniline derivatives, characterized by its complex molecular structure containing both aromatic and aliphatic components. With a molecular formula of C18H17Cl2NO3 and molecular weight of 366.2 g/mol, this substance exhibits unique chemical properties derived from its dichlorinated aromatic ring system combined with N-benzoyl substitution and ethyl propanoate moiety. The compound presents moderate toxicity concerns, classified under Acute Toxicity Category 4 with Warning signal word and GHS07 pictogram. Environmental considerations are significant, as it carries both Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicated by the GHS09 environmental hazard pictogram. Transportation falls under ADR Class 9 miscellaneous dangerous substances, requiring appropriate handling protocols during shipping and storage. Safety management requires careful attention to exposure prevention and environmental protection measures. Proper personal protective equipment and controlled handling environments are essential when working with this material. The compound's environmental classification necessitates strict containment procedures to prevent aquatic contamination. Industrial applications typically involve pharmaceutical intermediate synthesis and specialty chemical manufacturing processes. The compound's structural similarity to other substituted anilines, such as 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline, makes it valuable in developing related chemical entities. Agricultural chemical synthesis represents another potential application area, where dichlorinated aromatic compounds serve as important building blocks. OYSI maintains technical-grade ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate inventory to support European industrial customers' specialized chemical requirements.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBenzoylprop-ethyl (ISO)
Marine PollutantNo

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 the molecular formula C18H17Cl2NO3 and CAS number 22212-55-1. This substance belongs to the class of substituted aniline derivatives and has a molecular weight of 366.2 g/mol. It is classified as a hazardous substance with acute toxicity properties and environmental hazards, requiring careful handling and appropriate safety measures during use and storage.

What are the physicochemical properties of ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?

Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is a complex organic molecule containing chlorinated aromatic rings and ester functional groups. The compound has a molecular weight of 366.2 g/mol and formula C18H17Cl2NO3. As a substituted aniline derivative with benzoyl and propanoate groups, it likely exhibits moderate to low water solubility due to its hydrophobic aromatic components, while showing better solubility in organic solvents.

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 fine chemical synthesis. Its complex structure containing dichloroaniline and benzoyl groups makes it valuable for developing pharmaceutical compounds, agrochemicals, and specialty organic molecules. The substance serves as a building block in multi-step synthetic processes where specific substitution patterns and functional groups are required for target molecule construction.

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. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency washing facilities are readily available. Follow good laboratory practices and maintain proper hygiene when handling this substance.

How to store ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate correctly?

Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment and store in secondary containment. Keep away from incompatible materials such as strong oxidizing agents, strong bases, and reactive metals. Ensure storage areas comply with local chemical storage regulations.

What to do in case of contact with ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate?

Immediate action is required upon contact with ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate due to its acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, providing the safety data sheet to healthcare professionals.

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 as hazardous waste due to its toxicity and environmental hazard classifications. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers, waterways, or soil due to its aquatic toxicity classification. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Maintain proper documentation throughout the disposal process for regulatory compliance.

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 Goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling with GHS07 and GHS09 pictograms, and proper shipping documentation. Transport vehicles must comply with ADR regulations for Class 9 substances. Ensure packages are properly secured, labeled, and accompanied by appropriate transport documents including safety data sheets for emergency response purposes.

Is ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate subject to specific regulations?

Ethyl 2-(N-benzoyl-3,4-dichloroanilino)propanoate is subject to EU REACH regulation requiring registration for manufacture or import above 1 tonne annually. The substance must be classified and labeled according to CLP regulation with GHS07 and GHS09 pictograms and Warning signal word. It is not currently identified as an SVHC under REACH. Users must comply with occupational health regulations due to its acute toxicity classification and environmental protection laws given its aquatic hazard classification.

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 technical chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation according to ADR Class 9 requirements while maintaining high quality standards for research and industrial applications throughout Europe.

Data Sources

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