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| CAS No.: | 458-52-6 |
|---|---|
| Name: | 2-FLUORO-4-METHOXYANILINE |
| Molecular Structure: | |
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| Formula: | C7H8FNO |
| Molecular Weight: | 141.145 |
| Synonyms: | p-Anisidine,2-fluoro- (8CI);2-Fluoro-4-methoxyaniline;2-Fluoro-4-methoxyphenylamine;2-Fluoro-p-anisidine;4-Amino-3-fluoroanisole; |
| Density: | 1.176g/cm3 |
| Melting Point: | 175°C |
| Boiling Point: | 203 °C at 760 mmHg |
| Flash Point: | 76.6 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 35.25000 |
| LogP: | 1.99770 |
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Specification
The 2-Fluoro-4-methoxyaniline, with CAS registry number 458-52-6, belongs to the following product categories: (1)Amines; (2)blocks; (3)FluoroCompounds. Its systematic name and its IUPAC name are the same, which is 2-fluoro-4-methoxyaniline. And the chemical formula of this chemical is C7H8FNO.
Physical properties of 2-Fluoro-4-methoxyaniline: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 37.16 cm3; (9)Molar Volume: 119.9 cm3; (10)Polarizability: 14.73×10-24cm3; (11)Surface Tension: 37.5 dyne/cm; (12)Enthalpy of Vaporization: 43.92 kJ/mol; (13)Vapour Pressure: 0.284 mmHg at 25°C.
Preparation: this chemical can be prepared by (2-fluoro-4-methoxy-phenyl)-carbamic acid tert-butyl ester. This reaction will need reagent HCl (gas) and solvent methanol. The yield is about 80.6%.
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Uses of 2-Fluoro-4-methoxyaniline: it can be used to produce 8-fluoro-6-methoxyquinoline. This reaction will need reagents arsenic(V) oxide hydrate, boric acid, conc. H2SO4. The reaction time is 16 hour(s) with reaction temperature of 120 ℃. The yield is about 37.86%.
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When you are using this chemical, please be cautious about it as the following:
The 2-Fluoro-4-methoxyaniline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(OC)c1)N
(2)InChI: InChI=1/C7H8FNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
(3)InChIKey: YWUVOJJHVFLNJA-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H8FNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
(5)Std. InChIKey: YWUVOJJHVFLNJA-UHFFFAOYSA-N