4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate

C11H9Cl2NO2

CAS101-27-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
101-27-9
EC Number
202-930-4
UN Number
3077
Index Number
006-020-00-6
PubChem CID
7551

Physical-chemical properties

Molecular Formula
C11H9Cl2NO2
Molar Mass
258.10 g/mol
IUPAC Name
4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate

Chemical Identifiers

InChI
InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChI Key
MCOQHIWZJUDQIC-UHFFFAOYSA-N

Overview

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate (CAS 101-27-9) is an organochlorine carbamate compound with fungicidal and herbicidal properties used in agricultural and industrial applications. This specialty chemical compound, also identified by EC number 202-930-4, features a molecular structure containing both alkyne and carbamate functional groups, contributing to its biological activity profile. With a molecular formula of C11H9Cl2NO2 and molecular weight of 258.1 g/mol, this dichlorinated carbamate exhibits moderate toxicity characteristics that require careful handling protocols. The compound is classified under multiple hazard categories including Acute Toxicity Category 4, Skin Sensitization Category 1, and both Acute and Chronic Aquatic Toxicity Category 1, necessitating appropriate safety measures during storage, handling, and application. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the Warning signal word reflects its moderate risk profile. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. Primary industrial applications include use as an active ingredient in fungicidal formulations for crop protection, particularly effective against certain plant pathogens. The compound also finds application in specialized herbicidal products and as an intermediate in the synthesis of other agricultural chemicals. Unlike structurally different compounds such as 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine, this carbamate operates through different biochemical pathways while maintaining effectiveness in pest control applications. The environmental persistence characteristics, particularly aquatic toxicity, require careful consideration of application methods and waste disposal procedures. Proper personal protective equipment and engineering controls are essential when working with this material to prevent skin sensitization and minimize exposure risks. OYSI maintains reliable supply chains for 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate to serve the European technical chemical market with consistent quality and regulatory compliance.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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:

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

Frequently Asked Questions

What is 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is an organochlorine chemical compound with the molecular formula C11H9Cl2NO2 and CAS number 101-27-9. This substance has a molecular weight of 258.1 g/mol and contains two chlorine atoms in its structure. It belongs to the carbamate family of compounds and is classified as moderately hazardous with warning-level toxicity. The compound requires careful handling due to its potential for skin sensitization and aquatic toxicity.

What are the physicochemical properties of 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is a solid organic compound with a molecular weight of 258.1 g/mol and the formula C11H9Cl2NO2. The presence of chlorine atoms and the carbamate functional group influence its chemical behavior and stability. As with most carbamate compounds, it likely exhibits limited water solubility due to its organic structure. Specific physical properties such as melting point, boiling point, and exact solubility data should be verified through technical data sheets.

What is 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate used for?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Carbamate compounds like this are commonly employed in the production of pesticides, herbicides, and other agrochemicals. It may also serve as a building block in the synthesis of more complex organic molecules for research and development purposes. Industrial applications typically involve its use in controlled manufacturing environments where proper safety measures can be implemented.

How to handle 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate safely?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate requires careful handling with appropriate personal protective equipment including gloves, safety goggles, and protective clothing to prevent skin contact. Since it's classified as a skin sensitizer (Skin Sens. 1), direct contact must be avoided. Work should be conducted in well-ventilated areas or under fume hoods. Emergency shower and eyewash stations should be accessible. Personnel should be trained on proper handling procedures and first aid measures before working with this substance.

How to store 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate correctly?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate should be stored in a cool, dry, well-ventilated area away from incompatible materials and heat sources. The storage area must be secure and accessible only to authorized personnel due to its hazardous classification. Containers should be kept tightly closed and properly labeled with hazard information. Given its aquatic toxicity classification, storage areas should have appropriate containment measures to prevent environmental release. Regular inspection of containers for damage or leakage is recommended.

What to do in case of contact with 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate exposure requires immediate action to minimize harm. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush eyes with clean water for 15 minutes. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet for proper medical treatment.

How to dispose of 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate appropriately?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate must be disposed of through licensed hazardous waste disposal facilities due to its toxic and environmentally hazardous properties. The substance cannot be disposed of in regular waste streams or sewage systems due to its aquatic toxicity classification. Disposal must comply with local, national, and European waste regulations including the Waste Framework Directive. Contact certified waste management companies for proper collection, treatment, and disposal. Documentation of disposal is typically required for regulatory compliance.

How to transport 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to European dangerous goods transport regulations. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The substance must be properly packaged in UN-approved containers with correct hazard labels and transport documents. Emergency response information must be readily available during transport.

Is 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate subject to specific regulations?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is subject to REACH regulation for chemical registration and CLP regulation for classification and labeling in the European Union. The substance is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, worker protection regulations, and environmental protection measures. Import/export may require additional documentation and permits. Users must implement appropriate risk management measures and may need to register uses under REACH depending on quantities and applications.

Where to buy 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate in Europe?

4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate is available through specialized chemical distributors like OYSI, which supplies industrial chemicals across Europe. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. When sourcing this substance, ensure the supplier provides appropriate certifications, quality documentation, and technical support. Due to its hazardous classification, purchases typically require business credentials and may involve minimum order quantities. Contact OYSI directly for availability, specifications, and procurement requirements.

Data Sources

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