[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

C25H22ClNO3

CAS66230-04-4
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
66230-04-4
UN Number
3349
Index Number
608-058-00-4
PubChem CID
10342051

Physical-chemical properties

Molecular Formula
C25H22ClNO3
Molar Mass
419.90 g/mol
IUPAC Name
[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate

Chemical Identifiers

InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1
InChI Key
NYPJDWWKZLNGGM-RPWUZVMVSA-N

Overview

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate (CAS 66230-04-4) is a chiral organochlorine compound with pyrethroid insecticidal properties and significant environmental toxicity concerns. This synthetic pyrethroid ester represents a sophisticated class of insecticidal compounds characterized by its complex stereochemistry and phenoxyphenyl structural framework. With a molecular formula of C25H22ClNO3 and molecular weight of 419.9 g/mol, this compound demonstrates the advanced chemical engineering typical of modern pest control agents. The presence of both cyano and chlorophenyl functional groups contributes to its potent biological activity, while the stereospecific configuration ensures optimal receptor binding efficiency. The compound exhibits significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 3), specific target organ toxicity, skin sensitization, and severe aquatic toxicity. The GHS06, GHS08, and GHS09 pictograms reflect its potential for acute toxicity, health hazards, and environmental dangers respectively. Its ADR Class 6.1 classification requires specialized handling protocols during transportation and storage. Unlike simpler aromatic compounds such as N-methylaniline, this pyrethroid structure demands enhanced safety measures due to its complex toxicological profile. Primary industrial applications include professional pest management formulations, agricultural crop protection products, and specialized vector control programs. The compound's effectiveness against a broad spectrum of insects, combined with its relatively selective toxicity profile compared to organophosphate alternatives, makes it valuable in integrated pest management strategies. Additional applications extend to household insecticide formulations where controlled-release properties are essential. OYSI maintains reliable supply chains for this specialized pyrethroid compound, supporting European industrial customers with comprehensive technical documentation and regulatory compliance support.

Safety & Classification

Danger
Classification:

Acute Tox. 3; Acute Tox. 3; STOT SE 1; STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H301

Toxic if swallowed.

H370

Causes damage to organs.

H373

May cause damage to organs through prolonged or repeated exposure.

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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

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:

Ingestion

Toxic

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 Number3349
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameEsfenvalerat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is a synthetic pyrethroid insecticide with molecular formula C25H22ClNO3 and CAS number 66230-04-4. This chiral compound has a molecular weight of 419.9 g/mol and is classified as a highly hazardous substance with acute toxicity, organ damage potential, and significant environmental concerns, particularly for aquatic organisms.

What are the physicochemical properties of [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is typically a colorless to pale yellow crystalline solid at room temperature. As a pyrethroid compound, it exhibits low water solubility but good solubility in organic solvents such as acetone, methanol, and dichloromethane. The compound is relatively stable under normal conditions but may decompose under extreme heat or UV light exposure.

What is [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate used for?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is primarily used as an active ingredient in insecticidal formulations for agricultural and professional pest control applications. This pyrethroid compound is effective against a broad spectrum of insects and is commonly incorporated into crop protection products, professional pest management solutions, and specialized industrial biocide formulations requiring precise insecticidal activity.

How to handle [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate safely?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate requires strict safety protocols due to its Acute Tox. 3 classification and sensitization potential. Essential PPE includes nitrile gloves, safety goggles, respiratory protection, and protective clothing. Work in well-ventilated areas or under fume extraction, avoid skin contact and inhalation, and wash hands thoroughly after handling. Emergency shower and eyewash stations should be readily accessible.

How to store [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate correctly?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate must be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Use tightly sealed original containers, maintain temperatures below 25°C, and ensure secure storage in designated chemical storage areas with appropriate spill containment. Keep away from oxidizing agents, strong bases, and food/feed materials.

What to do in case of contact with [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?

Immediate action is required upon contact with [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate. For skin contact, remove contaminated clothing and rinse thoroughly with water for 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek immediate medical attention in all cases due to the compound's acute toxicity and potential for systemic effects.

How to dispose of [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate appropriately?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate requires specialized hazardous waste disposal due to its environmental and health hazards. Contact licensed hazardous waste disposal companies for proper treatment, typically involving high-temperature incineration. Never discharge to sewers, waterways, or regular waste streams. Contaminated containers and materials must also be treated as hazardous waste and disposed of according to local environmental regulations.

How to transport [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is classified as ADR Class 6.1 (Toxic substances), Packing Group III for transportation. Shipments require appropriate hazardous goods documentation, UN-specification packaging, and proper labeling with GHS pictograms GHS06, GHS08, and GHS09. Drivers must hold ADR certification, and vehicles must carry emergency equipment and safety data sheets during transport.

Is [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate subject to specific regulations?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is subject to comprehensive EU chemical regulations including REACH registration, CLP classification requirements, and biocide regulations. While not currently listed as an SVHC, its Acute Tox. 3 and environmental classifications require strict compliance with occupational exposure limits, environmental discharge controls, and specialized handling protocols. Professional use may require additional authorizations.

Where to buy [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate in Europe?

[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides professional-grade chemical supplies with proper documentation, safety data sheets, and regulatory compliance support. As a controlled substance requiring specialized handling, purchases are typically limited to qualified industrial users, research institutions, and licensed professional applicators with appropriate safety capabilities and regulatory authorizations.

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[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate 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.