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Cas Database |
| Name |
(+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone |
EINECS | N/A |
| CAS No. | 96525-23-4 | Density | 1.33 g/cm3 |
| PSA | 38.33000 | LogP | 4.32490 |
| Solubility | N/A | Melting Point |
152.5℃ |
| Formula | C18H14 F3 N O2 | Boiling Point | 446.2 °C at 760 mmHg |
| Molecular Weight | 333.31 | Flash Point | 223.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and skin contact routes. Questionable carcinogen with neoplastigenic data reported. When heated to decomposition it emits toxic vapors of NOx and F−. | Risk Codes | 50/53 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
3(2H)-Furanone,5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-, (?à)-; Bacara; Benchmark;Fluortanone; Flurtamone; RE 40885 |
Article Data | 3 |
(+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone Synthetic route
- 96525-22-3
2-phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-amino-2,3-dihydrofuran
- 56-37-1
N-benzyl-N,N,N-triethylammonium chloride
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| With sodium hydroxide; dimethyl sulfate In dichloromethane; water |
- 96525-22-3
2-phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-amino-2,3-dihydrofuran
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| With methylamine In tetrahydrofuran; methanol; water | |
| With hydrogenchloride In methanol; water; methylamine |
- 96525-22-3
2-phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-amino-2,3-dihydrofuran
- 77-78-1
dimethyl sulfate
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| With trimethyldodecylammonium chloride; sodium sulfite In water; 1,2-dichloro-ethane at 20℃; for 2.5h; Reagent/catalyst; Large scale; |
- 2338-76-3
3-trifluoromethylphenylacetonitrile
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium methylate / methanol / 16 h / 25 °C / Large scale 2: bromine / methanol / 13 h / 20 °C / Large scale 3: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / 1,2-dichloro-ethane; water / 3.5 h / 20 °C / Large scale View Scheme | |
| Multi-step reaction with 3 steps 1: sodium methylate / methanol / 16 h / 25 °C / Large scale 2: bromine / methanol / 13 h / 20 °C / Large scale 3: sodium sulfite; trimethyldodecylammonium chloride / 1,2-dichloro-ethane; water / 2.5 h / 20 °C / Large scale View Scheme |
- 101-97-3
Ethyl 2-phenylethanoate
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium methylate / methanol / 16 h / 25 °C / Large scale 2: bromine / methanol / 13 h / 20 °C / Large scale 3: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / 1,2-dichloro-ethane; water / 3.5 h / 20 °C / Large scale View Scheme | |
| Multi-step reaction with 3 steps 1: sodium methylate / methanol / 16 h / 25 °C / Large scale 2: bromine / methanol / 13 h / 20 °C / Large scale 3: sodium sulfite; trimethyldodecylammonium chloride / 1,2-dichloro-ethane; water / 2.5 h / 20 °C / Large scale View Scheme |
- 68084-26-4
(3-trifluoromethylphenyl)benzylcarbonylacetonitrile
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: bromine / methanol / 13 h / 20 °C / Large scale 2: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / 1,2-dichloro-ethane; water / 3.5 h / 20 °C / Large scale View Scheme |
- 96525-22-3
2-phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-amino-2,3-dihydrofuran
- 616-38-6
carbonic acid dimethyl ester
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water; 1,2-dichloro-ethane at 20℃; for 3.5h; Reagent/catalyst; Large scale; |
- 96525-23-4
2-Phenyl-3-oxo-4-(-3-trifluoromethylphenyl)-5-methylamino-2,3-dihydrofuran
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane |
(+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone Chemical Properties
IUPAC Name: 5-(Methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
Synonyms: 3(2H)-Furanone, 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]- ; 5-(Methylamino)-2-phenyl-4-[3-(trifluormethyl)phenyl]-3(2H)-furanon ; 5-(Methylamino)-2-phenyl-4-[3-(trifluormethyl)phenyl]furan-3(2H)-on
Product Categories: Alpha sort;E-GAlphabetic;F;FA - FLPesticides&Metabolites;Herbicides;Others;Pesticides&Metabolites CAS NO:96525-23-4
Molecular Formula of (+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone (CAS NO:96525-23-4) : C18H14F3NO2
Molecular Weight of (+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone (CAS NO:96525-23-4) :333.3045
Molecular Structure of (+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone (CAS NO:96525-23-4) :
Index of Refraction: 1.576
Surface Tension: 44 dyne/cm
Density: 1.33 g/cm3
Flash Point: 223.6 °C
Enthalpy of Vaporization: 70.43 kJ/mol
Boiling Point: 446.2 °C at 760 mmHg
Vapour Pressure: 3.73E-08 mmHg at 25°C
(+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 500mg/kg (500mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C40, 1991. | |
| rat | LD50 | skin | > 500mg/kg (500mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C40, 1991. |
(+-)-5-(Methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-3(2h)-furanone Safety Profile
Moderately toxic by ingestion and skin contact routes. Questionable carcinogen with neoplastigenic data reported. When heated to decomposition it emits toxic vapors of NOx and F−.
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 UN3077 9/PG 3
RTECS LU5105000
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