2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C11H12F3NO

CAS1939-27-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
1939-27-1
EC Number
406-740-4
UN Number
3077
Index Number
616-048-00-6
PubChem CID
137264

Physical-chemical properties

Molecular Formula
C11H12F3NO
Molar Mass
231.21 g/mol
IUPAC Name
2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

Chemical Identifiers

InChI
InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChI Key
GETMKVRSDFVVHL-UHFFFAOYSA-N

Overview

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CAS 1939-27-1) is an aromatic amide compound featuring a trifluoromethyl-substituted phenyl ring with specialized industrial applications. This fluorinated organic compound belongs to the family of aromatic amides and is characterized by its unique molecular structure combining a branched aliphatic chain with a trifluoromethyl-substituted aromatic system. The presence of three fluorine atoms in the trifluoromethyl group (-CF3) imparts distinctive chemical properties, including enhanced lipophilicity and metabolic stability, making it valuable for various technical applications. With a molecular weight of 231.21 g/mol and molecular formula C11H12F3NO, this compound demonstrates the typical characteristics of fluorinated aromatic derivatives. From a safety perspective, 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is classified under STOT RE 2, indicating potential for specific target organ toxicity following repeated exposure, and Aquatic Chronic 2, reflecting its environmental impact potential. The compound requires careful handling protocols consistent with ADR Class 9 substances and displays GHS08 and GHS09 pictograms, emphasizing both health hazards and environmental concerns. Industrial applications typically include its use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and as a building block for more complex fluorinated compounds. The compound's structural relationship to other aromatic amides, such as propan-2-yl N-(3-chlorophenyl)carbamate, highlights its utility in developing specialized chemical products where fluorinated substituents are desired for enhanced performance characteristics. OYSI provides reliable access to 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide for European industrial customers requiring consistent quality and technical support for their specialized chemical applications.

Safety & Classification

Warning
Classification:

STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name3'-Trifluormethylisobutyranilid
Marine PollutantNo

Frequently Asked Questions

What is 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is an organic chemical compound with the molecular formula C11H12F3NO and CAS number 1939-27-1. This substance belongs to the amide class of compounds, characterized by the presence of a carbonyl group linked to a nitrogen atom. With a molecular weight of 231.21 g/mol, it contains a trifluoromethyl group attached to a phenyl ring, which significantly influences its chemical properties and biological activity.

What are the physicochemical properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide typically appears as a solid at room temperature due to its amide structure and molecular weight of 231.21 g/mol. The presence of the trifluoromethyl group enhances its lipophilicity while maintaining some polar characteristics from the amide functionality. Its melting point, solubility, and other specific physical properties depend on crystal form and purity. The compound's stability is generally good under normal conditions, though specific data on color, odor, and exact solubility parameters should be confirmed through technical specifications.

What is 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide used for?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is primarily used as an intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its unique trifluoromethyl-substituted structure makes it valuable in medicinal chemistry research and drug development processes. The compound may also serve as a building block for agrochemical synthesis or specialty chemical production. Its specific applications depend on the target molecules being synthesized, where its particular substitution pattern provides desired pharmacological or chemical properties in the final products.

How to handle 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide safely?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide requires careful handling due to its STOT RE 2 classification, indicating potential organ damage through repeated exposure. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling. Training on the substance's hazards and emergency procedures is essential for all personnel.

How to store 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide correctly?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide should be stored in a cool, dry, well-ventilated area away from sources of heat and ignition. Keep containers tightly closed and properly labeled with hazard information. Storage areas must be secure and accessible only to trained personnel. Due to its Aquatic Chronic 2 classification, prevent environmental release by using secondary containment measures. Store separately from incompatible materials and ensure compliance with local chemical storage regulations. Regular inspection of containers for integrity and proper labeling is recommended.

What to do in case of contact with 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?

Immediate action is required in case of contact with 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact poison control or emergency services when necessary.

How to dispose of 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide appropriately?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide must be disposed of through licensed hazardous waste management facilities due to its classification as STOT RE 2 and Aquatic Chronic 2. Never discharge into sewers, waterways, or soil as it poses environmental risks. Collect waste in appropriate containers, properly labeled with contents and hazard information. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Contact certified waste disposal companies for collection and treatment using approved methods such as high-temperature incineration.

How to transport 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is classified as ADR Class 9, Packing Group III for transportation purposes. This classification indicates it's a miscellaneous dangerous substance requiring specific packaging, labeling, and documentation for road transport. Packages must meet UN specification standards and display appropriate hazard labels and markings. Transport documents must include proper shipping names, hazard class, and emergency contact information. Drivers require ADR training certificates, and vehicles must carry appropriate safety equipment. Comply with quantity limitations and routing restrictions as specified in ADR regulations.

Is 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide subject to specific regulations?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is subject to multiple European regulations including REACH registration requirements and CLP classification obligations. The substance is classified under GHS with warning pictograms GHS08 and GHS09, requiring appropriate hazard communication. It is not currently identified as a Substance of Very High Concern (SVHC). Companies must ensure proper registration, maintain safety data sheets, and implement risk management measures. Compliance with occupational exposure limits, environmental discharge restrictions, and waste management regulations is mandatory throughout the supply chain.

Where to buy 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide in Europe?

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As an established chemical distributor, OYSI ensures proper regulatory compliance, quality documentation, and professional handling of hazardous substances. Contact OYSI directly for availability, technical specifications, and pricing information. Their experienced team can provide guidance on regulatory requirements and safe handling procedures for this specialized chemical compound.

Data Sources

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