3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide

C12H11Cl2NO

CAS23950-58-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

Consulting for 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
23950-58-5
EC Number
245-951-4
UN Number
3077
Index Number
616-055-00-4
PubChem CID
32154

Physical-chemical properties

Molecular Formula
C12H11Cl2NO
Molar Mass
256.12 g/mol
IUPAC Name
3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide

Chemical Identifiers

InChI
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChI Key
PHNUZKMIPFFYSO-UHFFFAOYSA-N

Overview

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide (CAS 23950-58-5) is a chlorinated benzamide compound with alkyne functionality and selective herbicidal properties. This specialized organic compound represents an important class of herbicidal active ingredients widely utilized in agricultural crop protection systems. With its molecular formula C12H11Cl2NO and molecular weight of 256.12 g/mol, this dichlorobenzamide derivative exhibits distinct structural characteristics that contribute to its biological activity profile. The presence of two chlorine substituents at the 3,5-positions of the benzene ring, combined with the unique 2-methylbut-3-yn-2-yl side chain containing an alkyne group, provides specific selectivity mechanisms essential for targeted weed control applications. The compound's hazard classification includes Carcinogenic Category 2 and Aquatic toxicity concerns (Acute 1, Chronic 1), requiring careful handling protocols and appropriate safety measures during storage, transportation, and application. Under ADR regulations, it falls under Class 9 miscellaneous dangerous goods, with GHS08 and GHS09 pictograms indicating health and environmental hazards respectively. These safety considerations are critical for industrial users and agricultural professionals working with this material. Primary applications include selective herbicide formulations for cereal crops and specialized agricultural uses where precise weed species control is required. The compound's mode of action differs from related triazine herbicides such as 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine, offering complementary control strategies in integrated weed management programs. Its unique chemical structure enables effective control of specific broadleaf weeds while maintaining crop safety margins. OYSI supplies this technical-grade compound to qualified agricultural chemical manufacturers and research institutions throughout Europe, ensuring compliance with all relevant regulatory requirements and quality specifications.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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

Transport (ADR)

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

Frequently Asked Questions

What is 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is an organochlorine compound with the molecular formula C12H11Cl2NO and CAS number 23950-58-5. This synthetic chemical features a benzamide core structure with two chlorine substituents at positions 3 and 5 of the benzene ring, and a methylbutynyl group attached to the nitrogen atom. With a molecular weight of 256.12 g/mol, it belongs to the class of halogenated aromatic amides commonly used in industrial applications.

What are the physicochemical properties of 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is a solid compound at room temperature with a molecular weight of 256.12 g/mol. The presence of two chlorine atoms and the aromatic benzamide structure contribute to its chemical stability and moderate polarity. The alkyne functionality in the side chain adds reactivity potential. As with most chlorinated aromatic compounds, it likely exhibits limited water solubility but good solubility in organic solvents such as alcohols and ketones.

What is 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide used for?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its unique structure, combining chlorinated aromatic and alkyne functionalities, makes it valuable for developing bioactive compounds. The benzamide core is commonly found in various pharmaceutical applications, while the specific substitution pattern allows for targeted chemical modifications. Industrial applications may include use as a building block in fine chemical synthesis and specialized material production.

How to handle 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide safely?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide requires careful handling due to its Carc. 2 classification and aquatic toxicity. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin contact and ingestion. Use proper laboratory techniques to prevent dust generation and ensure all personnel are trained on the specific hazards associated with potentially carcinogenic substances.

How to store 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide correctly?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight. Keep containers in secondary containment to prevent environmental release given its aquatic toxicity classification. Store separately from incompatible materials such as strong oxidizers and bases. Ensure storage areas are equipped with appropriate spill control measures and maintain inventory records. Regular container inspection is recommended to detect any signs of degradation or leakage.

What to do in case of contact with 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide?

Immediate action is required upon contact with 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide due to its potential carcinogenic properties. For skin contact, immediately remove contaminated clothing and wash affected areas 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. Always consult the safety data sheet and contact emergency services when necessary.

How to dispose of 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide properly?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide must be disposed of as hazardous waste through licensed waste management companies due to its potential carcinogenic properties and aquatic toxicity. Never dispose of this substance through regular waste streams or pour down drains. Contact certified hazardous waste disposal services that can handle organochlorine compounds. Maintain detailed disposal records and ensure compliance with local and European waste regulations including the Waste Framework Directive and relevant national legislation.

How to transport 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and accompanying transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The relatively lower risk Packing Group III classification allows for less restrictive transport conditions compared to higher hazard groups, but all ADR regulations must still be strictly followed.

Is 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide subject to specific regulations?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification as Carc. 2, Aquatic Acute 1, and Aquatic Chronic 1. While not currently listed as an SVHC, its carcinogenic classification requires strict workplace exposure controls and specific labeling with GHS08 and GHS09 pictograms. Users must maintain safety data sheets, implement appropriate risk management measures, and comply with occupational health regulations and environmental protection requirements.

Where to buy 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide in Europe?

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides this compound with full regulatory compliance including proper CLP labeling, safety data sheets, and ADR-compliant packaging. As an established chemical distributor, OYSI ensures product quality and regulatory documentation required for professional use. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Data Sources

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