3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide

C14H16Cl3NO2

CAS156052-68-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
156052-68-5
UN Number
3077
Index Number
616-141-00-1
PubChem CID
122087

Physical-chemical properties

Molecular Formula
C14H16Cl3NO2
Molar Mass
336.60 g/mol
IUPAC Name
3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide

Chemical Identifiers

InChI
InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
InChI Key
SOUGWDPPRBKJEX-UHFFFAOYSA-N

Overview

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide (CAS 156052-68-5) is a chlorinated benzamide derivative with potent biological activity and specialized industrial applications. This complex organic compound belongs to the benzamide family and features a highly substituted aromatic ring system combined with a functionalized aliphatic chain. The molecular structure contains multiple chlorine substituents and a tertiary amide linkage, contributing to its distinctive chemical properties and biological profile. With a molecular weight of 336.6 g/mol and the formula C14H16Cl3NO2, this compound demonstrates the sophisticated chemistry typical of advanced industrial intermediates. The compound presents significant safety considerations, classified as a skin sensitizer (Skin Sens. 1) and posing acute and chronic aquatic toxicity risks (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, requiring careful handling protocols and appropriate containment measures. Its ADR classification as Class 9 (miscellaneous dangerous substances) reflects its specialized transport requirements. Industrial applications primarily focus on its role as an advanced chemical intermediate and specialty reagent in pharmaceutical synthesis and agrochemical development. The compound's unique structural features make it valuable in the production of bioactive molecules where specific substitution patterns are required. Unlike simpler compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, this chlorinated benzamide offers enhanced selectivity in synthetic transformations. OYSI maintains reliable supply chains for this specialized compound, supporting European industries requiring high-quality chemical intermediates for research and production applications.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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 NameZoxamid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is a chlorinated organic compound with the molecular formula C14H16Cl3NO2 and CAS number 156052-68-5. This benzamide derivative has a molecular weight of 336.6 g/mol and contains three chlorine atoms in its structure. It is classified as a skin sensitizer and poses risks to aquatic environments, requiring careful handling and environmental protection measures.

What are the physicochemical properties of 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is a solid compound at room temperature with a molecular weight of 336.6 g/mol. The presence of three chlorine atoms and the benzamide structure suggest limited water solubility and stability under normal conditions. Its complex molecular structure with multiple functional groups influences its chemical reactivity and physical behavior in various solvents and environmental conditions.

What is 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide used for?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is typically used as an intermediate in chemical synthesis and pharmaceutical manufacturing. Its complex structure makes it valuable for developing specialized compounds in research and development applications. The compound may also serve as a building block in the production of more complex organic molecules for industrial or pharmaceutical purposes, though specific applications depend on the end user's requirements.

How to handle 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide safely?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide requires careful handling due to its skin sensitization properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or use local exhaust ventilation. Avoid generating dust or aerosols, and ensure emergency eyewash and shower facilities are readily accessible. Follow proper hygiene practices and wash hands thoroughly after handling.

How to store 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide correctly?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and direct sunlight. Store in original containers with proper labeling including hazard warnings. Ensure storage areas have appropriate containment measures to prevent environmental contamination. Maintain separation from strong oxidizing agents and reactive chemicals to prevent unwanted reactions.

What to do in case of contact with 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide?

Skin contact with 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or develops, especially considering the compound's skin sensitization properties. Do not induce vomiting if accidentally ingested.

How to dispose of 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide appropriately?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide must be disposed of through licensed hazardous waste disposal companies due to its aquatic toxicity classification. Never discharge into sewers, waterways, or soil as it poses significant environmental risks. Contact certified waste management facilities experienced in handling chlorinated organic compounds. Ensure proper waste classification and documentation according to local and European waste regulations. Empty containers should also be treated as hazardous waste.

How to transport 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport vehicles must carry proper emergency response information and safety equipment. Ensure compliance with national and international transport regulations including proper shipping names, hazard labels, and transport documents for safe movement across European borders.

Is 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide subject to specific regulations?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is subject to EU REACH and CLP regulations requiring proper registration, classification, and safety data sheets. It is classified with GHS pictograms GHS07 and GHS09, indicating health and environmental hazards. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental protection measures, and proper hazard communication throughout the supply chain.

Where to buy 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide in Europe?

3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is available through OYSI, a specialized European chemical distributor with expertise in technical chemical products. OYSI provides comprehensive regulatory support, proper packaging, and safety documentation compliance for European markets. As a professional distributor, OYSI ensures product quality, regulatory compliance, and technical support for industrial customers requiring this specialized chemical compound across Europe.

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3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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