Pentoxazone
Also known as 3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dione, 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione, 3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione
Key facts
What buyers check first
- CAS number
- 110956-75-7
- Formula
- C17H17ClFNO4
- Molar mass
- 353.78 g/mol
- EC number
- 601-016-6
- HS code
- 293499
- Category
- Herbicides
What is Pentoxazone?
Plain description, key identifiers and synonyms
Pentoxazone is an oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, an oxazolidinone, a member of monochlorobenzenes and a member of monofluorobenzenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
- CAS number
- 110956-75-7 CAS number cross-checked
- EC number
- 601-016-6
- Molecular formula
- C17H17ClFNO4
- UNII
- 8LW0PP7NLI
- InChIKey
- JZPKLLLUDLHCEL-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
- SMILES (canonical and isomeric)
- CC(=C1C(=O)N(C(=O)O1)C2=CC(=C(C=C2F)Cl)OC3CCCC3)C
Synonyms
- 3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dione
- 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione
- 3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione
- 3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-isopropylidene-1,3-oxazolidine-2,4-dione
- 3-(4-Chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-(1-methylethylidene)-2,4-oxazolidinedione
- 3-(4-chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione
- 3-(4-chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dione
- 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
- Pentoxazone 100 |Ig/mL in Acetonitrile
- Pentoxazone 100 microg/mL in Acetonitrile
- (2-fluoro-4-chloro-5-cyclopentyloxyphenyl)-5-isopropylidene-1,3-oxazolidine-2, 4-dione
- (2-fluoro-4-chloro-5-cyclopentyloxyphenyl)-5-isopropylidene-1,3-oxazolidine-2,4-dione
- (4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-isopropyliden-2,4-oxazolidinedione
- 3-(4-chloro-5-(cyclopentyloxy)-2-fluorophenyl)-5-(propan-2-ylidene)oxazolidine-2,4-dione
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 | 353.78 g/molcalc.Computed value |
|---|---|
| Exact mass | 353.083 Dacalc.Computed value |
| LogP (octanol/water) | 4.58calc.Computed value |
| Topological polar surface area | 55.84 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.41calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 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
C=C1OC(=O)N(c2cccc(OC3CCCC3)c2)C1=O
3 rings, 20 atoms.
No other chemical in our database has this scaffold.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Pentoxazone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Pentoxazone can send you quotes. Your contact details stay private until you accept a quote.
Pentoxazone 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
Industries and functions
Roles
- agrochemical
- enzyme inhibitor
- herbicide
- pesticide
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pentoxazone is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Pentoxazone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pentoxazone, based on the data on this page
What is Pentoxazone?
What is the CAS number of Pentoxazone?
What is the molecular formula and weight of Pentoxazone?
What is Pentoxazone used for?
Is Pentoxazone hazardous?
What is the HS code of Pentoxazone?
Where can I buy Pentoxazone?
What is the price of Pentoxazone?
Guides for buyers
Practical guides that help when you source, ship or handle Pentoxazone
- 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
- 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, RegulationREACH basics for non EU exportersWhat EU REACH requires, why non EU manufacturers use an only representative, tonnage bands, joint registration, exemptions, SDS and label duties, and practical steps.Read
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