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| CAS No.: | 131341-86-1 |
|---|---|
| Name: | Fludioxonil |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H6F2N2O2 |
| Molecular Weight: | 248.189 |
| Synonyms: | Beret Gold;CGA 173506;Celeste;4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile; |
| Density: | 1.55 g/cm3 |
| Melting Point: | 199.4° |
| Boiling Point: | 420.4 °C at 760 mmHg |
| Flash Point: | 208 °C |
| Solubility: | 1.8 mg l-1 in water at 25 °C |
| Hazard Symbols: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| Transport Information: | UN 3077 |
| PSA: | 58.04000 |
| LogP: | 2.87488 |
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- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
| 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
- 131341-86-1
Fludioxonil
| 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% |
| 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 | 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% |
- 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 | Yield |
|---|---|
| With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; water; toluene |
- 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile
- 131341-86-1
Fludioxonil
| 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 | 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 | 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
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In diethyl ether | 92% |
| 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% |
- 57683-71-32-Carbomethoxybenzenesulfonamide
- 75-50-3Methanamine,N,N-dimethyl-
- 579-07-71-PHENYL-1,2-PROPANEDIONE
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- 113170-55-1Magnesium ascorbyl phosphate
- 1575-61-7Pentanoylchloride, 5-chloro-
- 142-63-2Piperazine, hydrate (1:6)
- 102-09-0Diphenyl carbonate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
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
Safety Profile
Safety Information of Fludioxonil (CAS NO.131341-86-1):
Hazard Codes: N
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
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)- .