1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
C11H9Cl2NO3
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Identification
- CAS Number
- 113136-77-9
- EC Number
- 419-150-7
- UN Number
- 2761
- Index Number
- 616-110-00-2
- PubChem CID
- 11097730
Physical-chemical properties
- Molecular Formula
- C11H9Cl2NO3
- Molar Mass
- 274.10 g/mol
- IUPAC Name
- 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
Chemical Identifiers
- InChI
- InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
- InChI Key
- GLWWLNJJJCTFMZ-UHFFFAOYSA-N
Overview
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CAS 113136-77-9) is a specialized organic compound featuring both cyclopropane and dichloroaniline structural elements with carboxylic acid functionality. This chemical compound, with molecular formula C11H9Cl2NO3 and molecular weight 274.1 g/mol, represents an important intermediate in organic synthesis applications. The molecule combines a cyclopropane ring system with a carbamoyl group attached to a dichlorinated phenyl ring, creating unique reactivity patterns that make it valuable for various industrial processes. Its structure bears some similarity to other specialized organic compounds like 2-cyclohexylidene-2-phenylacetonitrile, which also features substituted aromatic systems in synthetic applications. The compound is classified under Acute Toxicity Category 4 and Aquatic Chronic Category 2 according to GHS regulations, requiring appropriate handling precautions including the use of Warning signal words and corresponding GHS07 and GHS09 pictograms. Transportation falls under ADR Class 6.1, indicating its classification as a toxic substance requiring proper packaging and documentation during shipping. From a safety perspective, standard laboratory protocols must be followed when handling this material, including appropriate personal protective equipment and ventilation systems. The dichlorophenyl moiety contributes to its biological activity profile and environmental considerations, necessitating careful waste management procedures. Industrial applications typically include use as a synthetic intermediate in pharmaceutical development, agrochemical synthesis, and specialized organic chemistry research. The cyclopropane carboxylic acid functionality makes it particularly useful in medicinal chemistry applications where conformationally restricted analogs are desired. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European industrial customers with consistent availability and technical documentation.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
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 | 2761 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Cyclanilid (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is an organic chemical compound with the molecular formula C11H9Cl2NO3 and CAS number 113136-77-9. This substance features a cyclopropane ring structure combined with a dichlorophenyl group and carbamoyl functionality. With a molecular weight of 274.1 g/mol, it is classified as moderately toxic and presents environmental hazards to aquatic life. The compound requires careful handling due to its toxicological profile and regulatory classification under GHS.
What are the physicochemical properties of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is a solid organic compound at room temperature with a molecular weight of 274.1 g/mol. The presence of carboxylic acid functionality suggests moderate polarity and potential water solubility under appropriate pH conditions. The dichlorophenyl group contributes to its lipophilic character, while the cyclopropane ring provides structural rigidity. Specific physical properties such as melting point, boiling point, and exact solubility parameters would require detailed analytical characterization for precise determination.
What is 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid used for?
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique structural features, combining cyclopropane and dichlorophenyl moieties, make it valuable for developing bioactive compounds. The substance serves in research and development applications, particularly in medicinal chemistry where cyclopropane-containing molecules are explored for their biological activity. Industrial applications may include specialty chemical manufacturing and custom synthesis for pharmaceutical companies requiring this specific structural framework.
How to handle 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid safely?
Safe handling of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid requires appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. The Acute Tox. 4 classification indicates moderate toxicity, necessitating careful handling procedures. Always wash hands thoroughly after handling and ensure emergency procedures are readily available in case of accidental exposure.
How to store 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid correctly?
Proper storage of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid requires a cool, dry, and well-ventilated area away from incompatible materials. Store in tightly sealed original containers to prevent moisture absorption and contamination. Keep away from strong oxidizing agents, bases, and heat sources. The storage area should be equipped with appropriate spill containment measures and restricted access. Given its aquatic toxicity classification, prevent release to the environment and ensure secondary containment systems are in place to protect groundwater and surface water.
What to do in case of contact with 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
In case of skin contact with 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid, immediately remove contaminated clothing and flush the affected area with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with water while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove person from exposure and provide supportive care. Always consult a physician and provide the safety data sheet for proper medical treatment.
How to dispose of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid properly?
Disposal of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid must comply with local, national, and international environmental regulations. Due to its Aquatic Chronic 2 classification, prevent release to water systems and soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Incineration at appropriate high-temperature facilities may be suitable, ensuring proper scrubbing of combustion gases. Never dispose of through regular waste streams or pour down drains. Maintain detailed waste disposal records for regulatory compliance and environmental protection.
How to transport 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
Transportation of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid follows ADR Class 6.1 (toxic substances) Packing Group III regulations. This classification indicates moderate toxicity requiring appropriate packaging, labeling, and documentation. Shipments must include proper hazard labels, transport documents, and emergency response information. Packages should be robust, leak-proof, and clearly marked with UN identification numbers. Transport vehicles require appropriate placarding and drivers need ADR training certification. Ensure compliance with international transport regulations including IMDG for sea transport and IATA for air transport.
Is 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid subject to special regulations?
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is subject to REACH regulation for registration, evaluation, and authorization in the European Union. Under CLP regulation, it requires classification and labeling with GHS07 and GHS09 pictograms and 'Warning' signal word. The substance is not currently identified as SVHC (Substance of Very High Concern). Manufacturers and importers must comply with safety data sheet requirements and tonnage-based registration obligations. National chemical inventory listings and workplace exposure limits may apply depending on the country of use.
Where to buy 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid in Europe?
OYSI serves as a reliable European distributor for 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid, providing high-quality chemical products to industrial and research customers across Europe. As an established chemical distributor, OYSI ensures proper handling, storage, and transport compliance with European regulations. The company offers technical support and regulatory documentation including safety data sheets and certificates of analysis. Contact OYSI directly for availability, specifications, and pricing information to meet your specific application requirements while ensuring full regulatory compliance throughout the European market.
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1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid 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.