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| CAS No.: | 364-78-3 |
|---|---|
| Name: | 4-Fluoro-2-nitrobenzeneamine |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5FN2O2 |
| Molecular Weight: | 156.116 |
| Synonyms: | Aniline,4-fluoro-2-nitro- (6CI,7CI,8CI);2-Nitro-4-fluoroaniline;4-Fluoro-2-nitrobenzenamine;4-Fluoro-2-nitrophenylamine;NSC 402980; |
| EINECS: | 206-666-0 |
| Density: | 1.1448 g/cm3 |
| Melting Point: | 90-94 °C(lit.) |
| Boiling Point: | 295.1 °C at 760 mmHg |
| Flash Point: | 89.4 °C |
| Solubility: | insoluble in water |
| Appearance: | orange to brown crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 71.84000 |
| LogP: | 2.42050 |
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Specification
The 4-Fluoro-2-nitrobenzeneamine, with its cas register number 364-78-3, has its IUPAC Name of 4-fluoro-2-nitroanilineother. And it has other names as 4-fluoro-2-nitroaniline; 2-nitro-4-fluoroaniline; benzenamine, 4-fluoro-2-nitro-.
The characteristics of this chemical are as below: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.67; (5)ACD/BCF (pH 7.4): 17.67; (6)ACD/KOC (pH 5.5): 271.88; (7)ACD/KOC (pH 7.4): 271.88; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 49.06 ; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 37.02 cm3; (14)Molar Volume: 107.7 cm3; (15)Polarizability: 14.67 ×10-24 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.448 g/cm3; (18)Flash Point: 89.4 °C; (19)Enthalpy of Vaporization: 53.48 kJ/mol; (20)Boiling Point: 295.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00155 mmHg at 25°C.
This is a kind of orange to brown crystalline powder and is insoluble in water. As for its usage, it is used as the pharmaceutical intermediate. And its product categories are including anilines, aromatic amines and nitro compounds; anilines, amides & amines; fluorine compounds; nitro compounds; amines; c2 to c6; nitrogen compounds; fluorinated benzene series; while its preparation products are including 7-fluoro-3,4-dihydro-6-nitro-3-oxoquinoxaline-2-carboxylic acid; 4-fluoro-2-nitrophenylboronic acid.
Being a kind of harmful chemical, it may cause damage to health and it will be very harmful if by inhalation, in contact with skin or if swallowed. Besides, it is irritant to eyes, respiratory system and skin, and it may cause inflammation to the skin or other mucous membranes. So while dealing with this chemical, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You could also go to WGK Germany 3 to obtain more safety information.
With a list of the following reaction gragphic, this chemical could be the reactant and also the resultant in the labrary.
4-Fluoro-2-nitro-aniline could react in the following conditions to produce 4-fluoro-o-phenylenediamine. The condition are as below: (1)reagent:Sn aq. HCl; reaction time: 1 hour; reaction temperature: 100 ℃. (2)reagent: H2; catalytic agent: Urushibara catalyst; solvent: ethyl acetate; reaction time: 4 hours; reaction temperature: 35 - 45 ℃; yield: 80%. (3)reagent: 100percent hydrazine hydrate; catalytic agent: Raney Ni; solvent: ethanol; yield: 90%; other condition: heating.
4-Fluoro-2-nitro-aniline could be made from the reaction of acetic acid-(4-fluoro-2-nitro-anilide) in the following conditions: (1)reagent: sodium ethoxide; solvent: ethanol; reaction time: 4 hour; reaction temperature: heating; yield: 90%. (2)reagent: conc. sulfuric acid ; reaction time: 15 min; reaction temperature: 100 ℃. (3)reagent: 9 M HCl; reaction time: 30 min; other condition: heating.
Additionally, you could convert the following data information to obtain the molecular structure:
SMILES:O=[N+]([O-])c1cc(F)ccc1N
InChI:InChI=1/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey:PUGDHSSOXPHLPT-UHFFFAOYAM