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Cas Database |
| Name |
3-Fluoro-2-iodotoluene |
EINECS | N/A |
| CAS No. | 883502-14-5 | Density | 1.788 g/cm3 |
| PSA | 0.00000 | LogP | 2.73870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H6FI | Boiling Point | 212 °C at 760 mmHg |
| Molecular Weight | 236.028 | Flash Point | 85.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Fluoro-2-iodo-3-methylbenzene;2-Iodo-3-fluorotoluene |
Article Data | 23 |
3-Fluoro-2-iodotoluene Synthetic route
- 443-89-0
2-fluoro-6-methylaniline
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-6-methylaniline With hydrogenchloride In water at 0℃; for 0.25h; Stage #2: With sodium nitrite In water at 0℃; for 1.67h; Stage #3: With potassium iodide In water at 0℃; for 2.17h; | 73% |
| Conditions | Yield |
|---|---|
| With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 2h; Microwave irradiation; Inert atmosphere; Schlenk technique; | 70% |
- 271-44-3
benzimidazole
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
| Conditions | Yield |
|---|---|
| With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 2h; Microwave irradiation; Inert atmosphere; Schlenk technique; | 48% |
- 288-88-0
1,2,4-Triazole
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
| Conditions | Yield |
|---|---|
| With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 6h; Microwave irradiation; Inert atmosphere; Schlenk technique; | 31% |
- 95-14-7
1,2,3-Benzotriazole
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 150℃; for 5h; Sealed tube; Inert atmosphere; Schlenk technique; | 19% |
- 557-21-1
zinc(II) cyanide
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
- 198633-76-0
2-fluoro-6-methyl-benzonitrile
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide at 80℃; for 16h; Inert atmosphere; | |
| With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide at 80℃; for 16h; Inert atmosphere; | |
| With tetrakis(triphenylphosphine) palladium(0) In dimethyl amine at 80℃; Inert atmosphere; |
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
- 1255207-47-6
3-bromo-6-fluoro-2-methyl-benzonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C View Scheme |
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
- 1255207-48-7
3-ethenyl-6-fluoro-2-methylbenzonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C 3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux View Scheme |
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
- 1255207-46-5
6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C View Scheme | |
| Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C 3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C View Scheme | |
| Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C View Scheme |
- 883502-14-5
1-fluoro-2-iodo-3-methylbenzene
- 1426071-25-1
tert-butyl (3S)-4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-(hydroxymethyl)piperazine-1-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C 5: ethanol / 0.5 h / 150 °C / Microwave irradiation View Scheme | |
| Multi-step reaction with 5 steps 1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C 3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C 5: ethanol / 0.5 h / 150 °C / Microwave irradiation View Scheme | |
| Multi-step reaction with 5 steps 1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere 2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C 3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C 5: ethanol / 0.5 h / 150 °C / Microwave irradiation View Scheme |
3-Fluoro-2-iodotoluene Specification
This chemical is called Benzene, 1-fluoro-2-iodo-3-methyl-, and its systematic name is 1-Fluoro-2-iodo-3-methylbenzene. With the molecular formula of C7H6FI, its molecular weight is 236.03. The CAS registry number of this chemical is 883502-14-5.
Other characteristics of the Benzene, 1-fluoro-2-iodo-3-methyl- can be summarised as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 43.97 cm3; (9)Molar Volume: 131.9 cm3; (10)Polarizability: 17.43×10-24cm3; (11)Surface Tension: 37.9 dyne/cm; (12)Density: 1.788 g/cm3; (13)Flash Point: 85.2 °C; (14)Enthalpy of Vaporization: 43 kJ/mol; (15)Boiling Point: 212 °C at 760 mmHg; (16)Vapour Pressure: 0.258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cccc(c1I)C
2.InChI: InChI=1/C7H6FI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
3.InChIKey: WXHRYDHCFKJKKO-UHFFFAOYAG
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