Oxathiapiprolin
Also known as 1-(4-(4-((5RS)-5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl)-1-piperidyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone, Ethanone, 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-, 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
Key facts
What buyers check first
- CAS number
- 1003318-67-9
- Formula
- C24H22F5N5O2S
- Molar mass
- 539.53 g/mol
- EC number
- 801-263-1
- HS code
- 293410
- Category
- Fungicides
What is Oxathiapiprolin?
Plain description, key identifiers and synonyms
1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is an N-acylpiperidine that is N-acetyl 4-(1,3-thiazol-2-yl)piperidine in which the thiazole ring is substituted at position 4 by a 5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl group and in which one of the hydrogens of the acetyl group is replaced by a 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl group. It is a tertiary carboxamide, a member of pyrazoles, an organofluorine compound, a member of 1,3-thiazoles, a N-acylpiperidine and an isoxazoline.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
- CAS number
- 1003318-67-9 CAS number cross-checked
- EC number
- 801-263-1
- Molecular formula
- C24H22F5N5O2S
- UNII
- 56498AIV8R
- InChIKey
- IAQLCKZJGNTRDO-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3
- SMILES (canonical and isomeric)
- CC1=CC(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C4=NOC(C4)C5=C(C=CC=C5F)F)C(F)(F)F
Synonyms
- 1-(4-(4-((5RS)-5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl)-1-piperidyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
- Ethanone, 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-
- 1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
- Ethanone, 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-
- Zorvec
- 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
- 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
- 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
- Oxathiapiprolin 100 ?g/mL in Acetonitrile
- Oxathiapiprolin 100 |Ig/mL in Acetonitrile
- 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl]thiazol-2-yl]-1-piperidyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 539.53 g/molcalc.Computed value |
|---|---|
| Exact mass | 539.1414 Dacalc.Computed value |
| LogP (octanol/water) | 5.22calc.Computed value |
| Topological polar surface area | 72.61 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 37calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.42calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(Cn1cccn1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
5 rings, 30 atoms.
5 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
- P273Avoid release to the environment.
- P391Collect spillage.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidOxathiapiprolin suppliers
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10 suppliers in 7 countries
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Oxathiapiprolin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Use classes: Fungicides.
Industries and functions
Roles
- agrochemical
- antifungal agent
- antifungal agrochemical
- antimicrobial agent
- fungicide
- pesticide
Regulatory status
Inventories, regulations and trade controls that list this substance
Europe
- EU harmonised classification (CLP Annex VI)Index no: 613-332-00-1
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Oxathiapiprolin is traded under.
Compounds containing an unfused thiazole ring (whether or not hydrogenated) in theโฆ
- Switzerland * partner reported36.4%
- Ireland28.8%
- China10.0%
- Canada33.4%
- United States14.4%
- Ireland13.1%
* Partner reported figures, a lower bound.
The HS code shown for Oxathiapiprolin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Oxathiapiprolin, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Oxathiapiprolin
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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