Fludioxonil
Also known as 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile, Scholar, 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
Key facts
What buyers check first
- Appearance
- Colorless crystals
- Melting point
- 199.8 °C
- Density
- 1.54 at 20 °C
- Solubility
- In water, 1.8 mg/L at 25 °C
- HS code
- 293499
- Category
- Fungicides

What is Fludioxonil?
Plain description, key identifiers and synonyms
Fludioxonil is a member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. It has a role as an androgen antagonist, an estrogen receptor agonist and an antifungal agrochemical. It is a nitrile, a member of pyrroles, an organofluorine compound and a member of benzodioxoles.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- CAS number
- 131341-86-1 CAS number cross-checked
- EC number
- 603-476-3
- Molecular formula
- C12H6F2N2O2
- UNII
- ENS9J0YM16
- MDL number
- MFCD01631158
- InChIKey
- MUJOIMFVNIBMKC-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
- SMILES (canonical and isomeric)
- C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
Synonyms
- 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- Scholar
- 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
- Maxim
- Celest
- 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- Medallion
- 3-(2,2-Difluorobenzodioxol-4-yl)-4-cyanopyrrole
- fludioxonil (ISO), 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- 4-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
- Savior
- Geoxe
- Fludioxinil
- Fludioxonil 100 microg/mL in Acetonitrile
- Fludioxonil 10 |Ig/mL in Acetone
- Fludioxonil 10 microg/mL in Acetone
- Fludioxonil 10 |Ig/mL in Acetonitrile
- Fludioxonil 100 |Ig/mL in Acetonitrile
- Fludioxonil 10 microg/mL in Acetonitrile
- Fludioxonil, PESTANAL(R), analytical standard
- Fludioxonil, certified reference material, TraceCERT(R)
- 4-(2,2-Difluoro-1,3-benzdioxol-4-yl)-1H-pyrrole-3-carbonitrile
- 4-(2\,2-Difluoro-1\,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- 4-(2\,2-Difluorobenzo[d][1\,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
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
| Appearance | Colorless crystalsexp.Measured value |
|---|---|
| Odour | Odorlessexp.Measured value |
| Melting point | 199.8 °Cexp.Measured value |
| Density | 1.54 at 20 °Cexp.Measured value |
| Solubility | In water, 1.8 mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 2.93 × 10⁻⁹ mm Hg at 25 °Cexp.Measured value |
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 | 248.19 g/molcalc.Computed value |
|---|---|
| Exact mass | 248.0397 Dacalc.Computed value |
| LogP (octanol/water) | 2.87calc.Computed value |
| Topological polar surface area | 58.04 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.08calc.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
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H400Very toxic to aquatic life.
- 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 aidFludioxonil suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, SuzhouUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
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- India, Rajkot ManufacturerUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- India, Rajkot ManufacturerUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- Price on request
- India, Botad ManufacturerUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- India, Karnal ManufacturerUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileFludioxonilGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
90 suppliers in 18 countries
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Fludioxonil price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Agricultural fungicide.
Fungicide, insecticide, seed treatment/protectant.
Use classes: Pesticides, Fungicides.
Industries and functions
Roles
- agonist
- agrochemical
- androgen antagonist
- antagonist
- antifungal agent
- antifungal agrochemical
- antimicrobial agent
- estrogen receptor agonist
- fungicide
- hormone antagonist
- hormone receptor modulator
- pesticide
- pharmaceutical
- receptor modulator
Functional uses
- Biocide
How it is made
Fludioxonil is produced by reaction of 4-amino-2,2-difluorobenzodioxide in HCl-containing acetic acid with sodium nitrite at 0 °C, followed by addition of ethylenenitrile, methyl ethyl ketone, and a solution of copper(I) chloride in hydrochloric acid. The product is extracted with dichloromethane and the thus-obtained solution heated to reflux in the presence of triethylamine to give 2,3-(difluoromethylenedioxy)cinnamic acid nitrile, which is treated with p-toluenesulfonylmethyl isocyanide and potassium tert-butoxide in THF.
Preparation: R. Nyfeler, Jl ehrenfreund, European Patent Office 206999, eidem, United States of America patent 4705800 (1986, 1987 both to Ciba-Geigy).
Regulatory status
Inventories, regulations and trade controls that list this substance
Europe
- EU harmonised classification (CLP Annex VI)Index no: 608-069-00-4
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Fludioxonil 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 Fludioxonil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Fludioxonil, based on the data on this page
What is Fludioxonil?
What is the CAS number of Fludioxonil?
What is the molecular formula and weight of Fludioxonil?
What is Fludioxonil used for?
Is Fludioxonil hazardous?
What is the HS code of Fludioxonil?
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Guides for buyers
Practical guides that help when you source, ship or handle Fludioxonil
- 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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