[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
C26H22ClF3N2O3
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Identification
- CAS Number
- 102851-06-9
- UN Number
- 3352
- Index Number
- 607-238-00-X
- PubChem CID
- 91768
Physical-chemical properties
- Molecular Formula
- C26H22ClF3N2O3
- Molar Mass
- 502.90 g/mol
- IUPAC Name
- [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
Chemical Identifiers
- InChI
- InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
- InChI Key
- INISTDXBRIBGOC-XMMISQBUSA-N
Overview
[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate (CAS 102851-06-9) is a synthetic pyrethroid insecticide featuring cyano and trifluoromethyl functional groups for enhanced biological activity. This complex organic compound belongs to the pyrethroid family of synthetic insecticides, characterized by its sophisticated molecular structure containing multiple aromatic rings, halogen substituents, and a chiral center. With a molecular formula of C26H22ClF3N2O3 and molecular weight of 502.9 g/mol, this substance represents advanced chemical engineering in pesticide development. The compound's stereochemistry, indicated by the (2R) configuration, is crucial for its biological activity and selectivity. The substance exhibits significant safety considerations due to its classification as Acute Tox. 4, Skin Irrit. 2, Aquatic Acute 1, and Aquatic Chronic 1. These hazard classes require careful handling protocols and appropriate personal protective equipment during industrial processing. The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, while its ADR Class 6.1 classification necessitates specialized transportation requirements for toxic substances. Like other halogenated aromatic compounds such as 1,2,4-trichlorobenzene, this pyrethroid demonstrates enhanced stability and persistence. The trifluoromethyl group contributes to improved metabolic stability and increased potency compared to natural pyrethrins. Industrial applications typically include formulation into agricultural pesticides, public health vector control products, and specialized insecticidal preparations for commercial pest management. The compound's complex synthesis requires expertise in organofluorine chemistry and stereoselective organic reactions, making it a high-value specialty chemical in the agrochemical industry. OYSI maintains reliable supply chains for this specialized pyrethroid compound, supporting European manufacturers in the agricultural and pest control sectors.
Safety & Classification
Acute Tox. 4 *; Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
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 Number | 3352 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | tau-Fluvalinate (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate is a synthetic pyrethroid insecticide with the molecular formula C26H22ClF3N2O3 and CAS number 102851-06-9. This complex organic compound has a molecular weight of 502.9 g/mol and belongs to the family of cyano-substituted pyrethroid esters. It is classified as moderately toxic and poses environmental hazards, particularly to aquatic organisms.
What are the physicochemical properties of [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate?
This pyrethroid compound is typically a solid at room temperature with low water solubility, characteristic of most synthetic pyrethroids. The molecule contains multiple aromatic rings, a cyano group, and trifluoromethyl substituent, contributing to its lipophilic nature. Its molecular structure includes chlorine and fluorine atoms which enhance its stability and biological activity. The compound's high molecular weight and complex structure result in low volatility and persistence in the environment.
What is [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate used for?
This substance is primarily used as an active ingredient in insecticidal formulations for agricultural and professional pest control applications. As a synthetic pyrethroid, it acts on the nervous system of insects by disrupting sodium channel function. It may be incorporated into crop protection products, public health insecticides, or professional pest management solutions. The compound's effectiveness against a broad spectrum of insect pests makes it valuable for integrated pest management programs.
How to handle [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, protective clothing, and eye protection due to its skin irritant properties and acute toxicity classification. Work in well-ventilated areas and avoid generating dust or aerosols. Prevent skin and eye contact, and avoid inhalation. Use proper engineering controls such as local exhaust ventilation when handling larger quantities. Always wash hands thoroughly after handling and before eating or drinking.
How to store [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate correctly?
Store this substance in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed in original packaging to prevent moisture absorption and contamination. Due to its aquatic toxicity, ensure storage areas have appropriate containment to prevent environmental release. Store separately from food, feed, and drinking water. Maintain storage temperatures as recommended by the supplier and ensure adequate fire prevention measures are in place.
What to do in case of contact with [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate?
In case of skin contact, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes due to its skin irritant classification. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if symptoms develop. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or physician for specific guidance.
How to dispose of [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate appropriately?
Disposal must comply with local and national hazardous waste regulations due to its acute toxicity and environmental hazard classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers, waterways, or soil due to its high aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Small quantities may require incineration at authorized high-temperature facilities. Always consult local environmental authorities for specific disposal requirements and approved disposal facilities.
How to transport [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate?
Transportation is regulated under ADR classification as Class 6.1 (Toxic substances), Packing Group III, indicating moderate toxicity. Proper shipping names, hazard labels, and documentation must comply with dangerous goods regulations. Packages must meet UN specification requirements for packing group III toxic substances. Vehicles must carry appropriate emergency response information and drivers need ADR certification. Ensure packages are properly marked, labeled with GHS07 and GHS09 pictograms, and secured during transport.
Is [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate subject to specific regulations?
This substance is subject to REACH regulation requiring registration for manufacture or import above one tonne annually in the EU. It must be classified and labeled according to CLP regulation with Warning signal word and appropriate hazard pictograms (GHS07, GHS09). As a pesticide active ingredient, it may require authorization under the Plant Protection Products Regulation. The substance is not currently identified as a Substance of Very High Concern (SVHC) under REACH, but users must comply with all applicable safety and environmental regulations.
Where to buy [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate in Europe?
OYSI is a reliable European distributor of this specialized pyrethroid compound, offering professional-grade chemical products to industrial and research customers. As an established chemical supplier, OYSI can provide this substance with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly to inquire about availability, packaging options, and technical specifications. Their expertise in chemical distribution ensures proper handling, storage, and delivery of hazardous materials throughout Europe while maintaining regulatory compliance.
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[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.