[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 organofluorine compound with insecticidal properties and complex aromatic structure. This technical chemical substance represents a sophisticated pyrethroid insecticide characterized by its distinctive molecular architecture containing cyano, phenoxy, and trifluoromethyl functional groups. With a molecular formula of C26H22ClF3N2O3 and molecular weight of 502.9 g/mol, this compound demonstrates the advanced synthetic chemistry typical of modern pest control agents. The presence of multiple halogen substituents, including chlorine and fluorine atoms, contributes to its biological activity and environmental persistence characteristics. The substance exhibits notable safety considerations requiring careful handling protocols. Classified under ADR Class 6.1, it carries acute toxicity warnings (Acute Tox. 4) and potential for skin irritation (Skin Irrit. 2). Environmental hazard classifications include both acute and chronic aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1), necessitating stringent containment measures during storage and handling. The GHS07 and GHS09 pictograms with "Warning" signal word emphasize the importance of appropriate personal protective equipment and environmental protection protocols. Industrial applications primarily focus on professional pest control formulations, agricultural protection products, and specialized insecticidal preparations. The compound's efficacy against target pest species makes it valuable for integrated pest management systems. Related compounds in this chemical family include halogenated aromatics such as 1,2,4-trichlorobenzene, which shares similar structural characteristics and industrial relevance. OYSI maintains technical-grade availability of this specialized compound for qualified industrial customers requiring high-purity insecticidal intermediates.
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 organic compound with the molecular formula C26H22ClF3N2O3 and CAS number 102851-06-9. This complex molecule has a molecular weight of 502.9 g/mol and belongs to the family of substituted aniline derivatives. The compound contains multiple functional groups including cyano, phenoxy, chloro, and trifluoromethyl substituents, making it a highly specialized chemical with specific industrial applications.
What are the physicochemical properties of [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 solid compound at room temperature with a molecular weight of 502.9 g/mol. The presence of trifluoromethyl and chloro groups typically confers low water solubility but good solubility in organic solvents. The compound's complex aromatic structure and multiple substituents contribute to its stability under normal conditions. Specific physical properties such as melting point and exact solubility parameters should be obtained from technical data sheets.
What is [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate used for?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate is primarily used in pharmaceutical and agrochemical research and development. Its complex structure makes it valuable as an intermediate in the synthesis of bioactive compounds. The molecule's specific stereochemistry and functional groups allow for targeted chemical modifications in drug discovery programs. It may also serve as a reference standard in analytical chemistry applications and quality control procedures in specialized manufacturing processes.
How to handle [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate safely?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate requires careful handling due to its Acute Tox. 4 and Skin Irrit. 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Use appropriate engineering controls and ensure personnel are trained in chemical safety procedures before handling this substance.
How to store [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate correctly?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed and properly labeled. Store away from incompatible materials such as strong oxidizers, acids, and bases. Maintain storage temperatures within recommended ranges and ensure adequate containment measures are in place. Access should be restricted to authorized personnel only, and inventory should be regularly monitored.
What to do in case of contact with [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate?
Immediate first aid is required upon contact with [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with plenty of clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting. Seek medical attention promptly in all cases and provide the safety data sheet to medical personnel.
How to dispose of [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate appropriately?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate must be disposed of as hazardous waste in accordance with local, national, and international regulations. Due to its aquatic toxicity classification, prevent release to waterways or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may require incineration at authorized facilities with appropriate emission controls. Always consult current waste disposal regulations and maintain proper documentation for waste tracking.
How to transport [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 classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. Packages must comply with appropriate UN packaging specifications and display proper hazard labels and markings. Transport documents must include correct shipping names, hazard class, and emergency response information. Drivers must hold appropriate training certificates for dangerous goods transport. Ensure vehicles are properly placarded and equipped with appropriate emergency equipment during transportation.
Is [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate subject to special regulations?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate is subject to European REACH regulation for registration, evaluation, and authorization of chemicals. It falls under CLP regulation for classification, labeling, and packaging with assigned hazard classes and pictograms GHS07 and GHS09. The compound is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements, downstream user obligations, and proper chemical safety assessments when handling this substance commercially.
Where to buy [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate in Europe?
[Cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical supplier, OYSI ensures product quality, proper packaging, and adherence to transportation regulations. Contact OYSI directly for availability, technical specifications, and ordering information for your specific research or manufacturing requirements.
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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.