1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9Cl2NO3

CAS113136-77-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 a cyclopropane ring structure with carboxylic acid and carbamoyl functional groups attached to a dichlorophenyl moiety. This compound, with molecular formula C11H9Cl2NO3 and molecular weight 274.1 g/mol, represents a unique class of cyclopropane derivatives that combines structural rigidity with reactive functional groups. The presence of two chlorine atoms on the phenyl ring at positions 2 and 4 provides specific electronic properties that influence the compound's reactivity and biological activity. The cyclopropane ring system contributes to the molecule's conformational constraints, making it valuable for applications requiring precise three-dimensional molecular arrangements. From a safety perspective, this substance is classified under GHS pictograms GHS07 and GHS09, indicating moderate acute toxicity (Acute Tox. 4) and aquatic chronic toxicity (Aquatic Chronic 2). The warning signal word reflects its hazard profile, requiring appropriate handling procedures and personal protective equipment during industrial use. Transport classification under ADR Class 6.1 designates it as a toxic substance requiring specialized shipping protocols. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, particularly in the development of compounds requiring cyclopropane-containing structures. The compound also serves as a building block in agrochemical formulations and specialty chemical manufacturing. Unlike simpler structures such as (3-methylphenyl) N-methylcarbamate, this cyclopropane derivative offers unique steric and electronic properties that make it suitable for highly specialized synthetic pathways. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality cyclopropane derivatives for their manufacturing processes.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H411

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 Number2761
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameCyclanilid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is a synthetic organic compound with the molecular formula C11H9Cl2NO3 and CAS number 113136-77-9. This chemical features a cyclopropane ring substituted with a carboxylic acid group and a carbamoyl group linked to a dichlorophenyl moiety. With a molecular weight of 274.1 g/mol, it belongs to the class of substituted carboxylic acids and exhibits moderate toxicity properties requiring careful handling protocols.

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 compound at room temperature with a molecular weight of 274.1 g/mol. The presence of both hydrophilic carboxylic acid and hydrophobic dichlorophenyl groups suggests moderate polarity. The cyclopropane ring structure provides rigidity to the molecule, while the carbamoyl linkage offers hydrogen bonding capabilities. Specific physical properties like melting point, solubility, and appearance may vary depending on purity and crystalline form.

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 an intermediate in pharmaceutical and agrochemical synthesis. Its unique structural features, including the cyclopropane ring and dichlorophenyl carbamoyl functionality, make it valuable for developing bioactive compounds. The compound may serve in research applications for drug discovery, particularly in developing molecules targeting specific biological pathways. Industrial applications typically involve its use as a building block in multi-step synthetic processes.

How to handle 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid safely?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid requires careful handling due to its Acute Tox. 4 classification. Essential protective equipment includes nitrile gloves, safety goggles, and laboratory coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and never ingest the material. Use appropriate handling tools and ensure proper training before use. Keep emergency eyewash stations and safety showers accessible when working with this compound.

How to store 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid correctly?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers upright and properly labeled with hazard information. Store separately from incompatible materials such as strong oxidizers, bases, and reducing agents. Maintain storage temperatures below 25°C when possible and ensure adequate containment to prevent environmental release. Implement regular inventory checks and proper segregation protocols.

What to do in case of contact with 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?

Immediate action is required upon contact with 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention promptly. Always consult safety data sheets and contact emergency services when necessary.

How to dispose of 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid appropriately?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid must be disposed of through licensed hazardous waste contractors due to its toxicity and environmental classification. The compound cannot be discharged into sewers, waterways, or regular waste streams due to its Aquatic Chronic 2 classification. Collect waste in appropriate containers, properly labeled and segregated from other materials. Consult local environmental regulations and engage certified waste management companies for safe disposal via incineration or other approved methods.

How to transport 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Packages must bear appropriate hazard labels and proper shipping names. Transport vehicles require proper placarding and drivers need ADR certification. Ensure compliance with international transport regulations and use approved packaging materials designed for Class 6.1 substances.

Is 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid subject to specific regulations?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is subject to REACH regulation for registration and authorization within the European Union, though it is not classified as a Substance of Very High Concern (SVHC). The compound falls under CLP regulation for classification, labeling, and packaging requirements. Transport regulations under ADR Class 6.1 apply for shipping. Users must maintain safety data sheets, implement risk assessments, and follow occupational exposure limits where established by national authorities.

Where to buy 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid in Europe?

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures product quality, appropriate packaging, and adherence to transport regulations. Contact OYSI directly for availability, technical specifications, and procurement information for this specialized chemical compound.

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Data Sources

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