Fludioxonil supplier | CasNO.131341-86-1

Name
Fludioxonil
EINECS
CAS No. 131341-86-1
Article Data7
CAS DataBase
Density 1.55 g/cm³
Solubility 1.8 mg l-1 in water at 25 °C
Melting Point 199.4°
Formula C₁₂H₆F₂N₂O₂
Boiling Point 420.4 °C at 760 mmHg
Molecular Weight 248.189
Flash Point 208 °C
Transport Information UN 3077
Appearance
Safety 60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols N
Synonyms Beret Gold;CGA 173506;Celeste;4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile;
PSA 58.04000
LogP 2.87488

Synthetic route

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: C11H6F2N2O3

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 5 - 10℃; for 5h; pH=10 - 12; Solvent; Reagent/catalyst;	95%

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: ethyl 2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)acrylate

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 5 - 10℃; for 1.5h; pH=10 - 14; Reagent/catalyst; pH-value; Solvent; Time;	95%
With sodium hydroxide In methanol; dichloromethane at 12 - 25℃; for 11h; Solvent; Temperature;	54%

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: C12H8F2N2O3

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 5 - 10℃; for 4h; pH=10 - 12; Time; Temperature; Solvent; pH-value;	94.7%

: 119895-68-0
2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
Stage #1: 2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde; methyl 2-cyanoacetate With triethylamine In methanol at 20℃; for 7h; pH=9.5; Stage #2: With [(p-methylphenyl)sulfonylmethyl]isonitrile; potassium hydroxide In methanol at 0 - 10℃; for 3h; pH-value; Reagent/catalyst; Temperature;	91.2%

2,2-difluorobenzo-2,3-dioxole: 2,2-difluorobenzo-2,3-dioxole

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 94-05-3
2-cyano-3-ethoxyacrylic acid ethyl ester

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; water; toluene

...Expand

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
With sodium chloride; potassium tert-butylate In tetrahydrofuran

: 119895-68-0
2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / butan-1-ol / 5 h / 3 °C 2: potassium hydroxide / methanol / 4 h / 5 - 10 °C / pH 10 - 12 View Scheme

: 824-79-3
sodium 4-methylbenzenesulfinate

: 131341-86-1
Fludioxonil

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydroxide / 4 h / 60 - 100 °C 2: trichlorophosphate / dichloromethane / 5 h / -5 - 0 °C 3: sodium hydroxide / dichloromethane; methanol / 11 h / 12 - 25 °C View Scheme

: 131341-86-1
Fludioxonil

: C12H7F2NO3

Conditions

Conditions	Yield
With diisobutylaluminium hydride In diethyl ether	92%

: 65868-63-5
tert-butyl 6-bromohexanoate

: 131341-86-1
Fludioxonil

: C22H24F2N2O4

Conditions

Conditions	Yield
Stage #1: Fludioxonil With sodium hydride In N,N-dimethyl-formamide Stage #2: tert-butyl 6-bromohexanoate With sodium iodide In N,N-dimethyl-formamide	80%

: 96-32-2
bromoacetic acid methyl ester

: 131341-86-1
Fludioxonil

A methyl 2-[3-(2,2-difluorobenzopioxol-4-yl)-4-cyanopyrrol-1-yl]acetate: methyl 2-[3-(2,2-difluorobenzopioxol-4-yl)-4-cyanopyrrol-1-yl]acetate

B: 132308-50-0
methyl 2-[3-(2,2-difluorobenzodioxol-4-yl)-4-cyanopyrrol-1-yl]acetate

Conditions

Conditions	Yield
With sodium chloride; potassium carbonate In dichloromethane; water; N,N-dimethyl-formamide

...Expand

: 3395-91-3
Methyl 3-bromopropionate

: 131341-86-1
Fludioxonil

: 1335094-51-3
methyl 3-[3-cyano-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrol-1-yl]propanoate

Conditions

Conditions	Yield
Stage #1: Fludioxonil With n-butyllithium In tetrahydrofuran at -5 - 0℃; for 3h; Stage #2: Methyl 3-bromopropionate In tetrahydrofuran for 16h; Reflux;

: 131341-86-1
Fludioxonil

: C18H16F2N2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydride / N,N-dimethyl-formamide 2: formic acid / 4 °C View Scheme

: 131341-86-1
Fludioxonil

: C22H19F2N3O6

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydride / N,N-dimethyl-formamide 2: formic acid / 4 °C 3: triethylamine / acetonitrile View Scheme

: 131341-86-1
Fludioxonil

: C12H7F2NO4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diisobutylaluminium hydride / diethyl ether 2: sodium chlorite; 2-methyl-but-2-ene; sodium dihydrogenphosphate / water; tert-butyl alcohol View Scheme

: 131341-86-1
Fludioxonil

: C16H10F2N2O6

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: diisobutylaluminium hydride / diethyl ether 2: sodium chlorite; 2-methyl-but-2-ene; sodium dihydrogenphosphate / water; tert-butyl alcohol 3: triethylamine / acetonitrile / 0 °C View Scheme

: 131341-86-1
Fludioxonil

: C19H20F2N2O5

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: diisobutylaluminium hydride / diethyl ether 2: sodium chlorite; 2-methyl-but-2-ene; sodium dihydrogenphosphate / water; tert-butyl alcohol 3: triethylamine / acetonitrile / 0 °C 4: triethylamine / N,N-dimethyl-formamide View Scheme

: 131341-86-1
Fludioxonil

: C18H18F2N2O5

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: diisobutylaluminium hydride / diethyl ether 2: sodium chlorite; 2-methyl-but-2-ene; sodium dihydrogenphosphate / water; tert-butyl alcohol 3: triethylamine / acetonitrile / 0 °C 4: triethylamine / N,N-dimethyl-formamide 5: lithium hydroxide; water / tetrahydrofuran View Scheme

: 131341-86-1
Fludioxonil

: C22H21F2N3O7

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: diisobutylaluminium hydride / diethyl ether 2: sodium chlorite; 2-methyl-but-2-ene; sodium dihydrogenphosphate / water; tert-butyl alcohol 3: triethylamine / acetonitrile / 0 °C 4: triethylamine / N,N-dimethyl-formamide 5: lithium hydroxide; water / tetrahydrofuran 6: acetonitrile View Scheme

: 131341-86-1
Fludioxonil

: 3-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)-2-(nitrosomethylene)-4-oxobutanenitrile

Conditions

Conditions	Yield
In water at 25℃; for 3h; pH=5; UV-irradiation;

Fludioxonil Chemical Properties

Product Name: Fludioxonil (CAS NO.131341-86-1)

Molecular Formula: C₁₂H₆F₂N₂O₂
Molecular Weight: 248.18g/mol
Mol File: 131341-86-1.mol
Boiling point: 420.4 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 208 °C
Density: 1.55 g/cm³
Surface Tension: 62.2 dyne/cm
Enthalpy of Vaporization: 67.42 kJ/mol
Vapour Pressure: 2.83E-07 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Fludioxonil (CAS NO.131341-86-1):
IUPAC Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Canonical SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#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
InChIKey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
Product Categories: PyrolesBuilding Blocks; Alpha sort; E-GAlphabetic; F; FA - FLPesticides; Fungicides; Heterocyclic Building Blocks; Pesticides&Metabolites; Thiazoles

Fludioxonil Safety Profile

Safety Information of Fludioxonil (CAS NO.131341-86-1):
Hazard Codes: N Dangerous
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 3077
HazardClass: 9
PackingGroup: III

Fludioxonil Specification

Fludioxonil , its CAS NO. is 131341-86-1, the synonyms are 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-
carbonitrile ; 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)- .

Product Name

Fludioxonil

Synthetic route

Fludioxonil Chemical Properties

Fludioxonil Safety Profile

Fludioxonil Specification

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