Afoxolaner | CAS No. 1093861-60-9

Afoxolaner

Basic Information

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CAS Number

1093861-60-9

Molecular Formula

C26H17ClF9N3O3

Molecular Weight

625.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (3.4E-5 g/L) (25 ºC),

SMILES

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c1ccc2c(c1)c(ccc2C(=O)NCC(=O)NCC(F)(F)F)C3=NOC(C3)(c4cc(cc(c4)Cl)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40)

InChIKey

OXDDDHGGRFRLEE-UHFFFAOYSA-N

LogP

6.502500000000003

Topological Polar Surface Area

79.79 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1040

Synonyms & References

English

4-[5-[3-Chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide
Afoxolaner
4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
4-(5-(3-Chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)naphthalene-1-carboxamide
Afoxolaner [USAN:INN]
Afoxolaner (USAN)
C26H17ClF9N3O3
4-[(5R)-5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-
4-(5-(3-Chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1-naphthamide

MDL Number

MFCD30533739

FAQ

What regulatory guidelines apply to Afoxolaner (CAS: 1093861-60-9)?

Afoxolaner (CAS: 1093861-60-9) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a restricted use pesticide under the EPA, and its use is subject to specific labeling and handling requirements to ensure safety and efficacy. Companies must comply with REACH regulations for the manufacture and distribution of Afoxolaner in the European Union, which includes reporting and documentation of chemical properties, exposure, and safety data.

Are there alternatives to Afoxolaner (CAS: 1093861-60-9) in synthesis?

Afoxolaner (CAS: 1093861-60-9) can have alternatives in synthesis, such as other isoxazoline compounds or other acaricides. Synthesis alternatives might include the use of different starting materials or catalysts. Common alternatives include chemicals like amitraz or imidacloprid, which have similar uses in treating parasitic infestations in animals. However, the choice of alternative depends on the specific application and regulatory landscape.

What is the market or research trend for Afoxolaner (CAS: 1093861-60-9)?

Market trends for Afoxolaner (CAS: 1093861-60-9) show a steady growth due to its efficacy in flea and tick control. Research trends are focusing on understanding its mode of action, enhancing its performance, and exploring its use in new applications, such as in veterinary medicine. The market is also seeing increased focus on sustainable and environmentally friendly solutions, which could influence the future development and adoption of Afoxolaner.

How should waste containing Afoxolaner (CAS: 1093861-60-9) be handled?

Waste containing Afoxolaner (CAS: 1093861-60-9) should be handled according to the appropriate waste disposal guidelines. It is classified as a hazardous waste due to its chemical properties. Waste should be collected in sealed, labeled containers and disposed of through a licensed hazardous waste disposal facility. Environmental precautions include proper containment to prevent soil or water contamination, and adherence to local, state, and federal regulations for waste disposal to ensure safety and compliance.