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| | 4-Fluoroaniline Basic information |
| | 4-Fluoroaniline Chemical Properties |
| Melting point | -1.9 °C | | Boiling point | 187 °C/767 mmHg (lit.) | | density | 1.173 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.539(lit.) | | Fp | 165 °F | | storage temp. | 2-8°C | | solubility | 33g/l | | pka | 4.65(at 25℃) | | form | Oily Liquid | | Specific Gravity | 1.173 | | color | Clear pale yellow to red-brown | | Water Solubility | 33 g/L (20 ºC) | | Merck | 14,4169 | | BRN | 742030 | | Henry's Law Constant | 1.6×100 mol/(m3Pa) at 25℃, HSDB (2015) | | Stability: | Stable. Incompatible with acids, oxidizing agents. | | InChI | 1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 | | InChIKey | KRZCOLNOCZKSDF-UHFFFAOYSA-N | | SMILES | Nc1ccc(F)cc1 | | CAS DataBase Reference | 371-40-4(CAS DataBase Reference) | | NIST Chemistry Reference | p-Fluoroaniline(371-40-4) | | EPA Substance Registry System | p-Fluoroaniline (371-40-4) |
| Hazard Codes | C,T,Xi,Xn | | Risk Statements | 22-34-36/38-33-23/24/25 | | Safety Statements | 26-36/37/39-45-37/39-28 | | RIDADR | UN 2941 | | WGK Germany | 1 | | RTECS | BY1575000 | | Hazard Note | Toxic/Irritant | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29214210 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1C
STOT RE 2 | | Hazardous Substances Data | 371-40-4(Hazardous Substances Data) |
| | 4-Fluoroaniline Usage And Synthesis |
| Chemical Properties | 4-Fluoroaniline is a light yellow to gold-coloured liquid.It is easy to oxidize and turn red in air. | | Uses | 4-Fluoroaniline is a degradation product of Ezetimibe (E975000). 4-Fluoroaniline is used as an analytical reagent in the enzymic detection of glucose. | | Uses | Intermediate in the manufacture of herbicides and plant growth regulators. | | Uses | 4-Fluoroaniline may be employed as one of the target pollutant during the investigation of biodegradability of fluorinated compounds under aerobic conditions. It may be used for the synthesis of luminescent and cationic monocyclometalated gold(III) monoaryl complexes. | | Preparation | The better process in the one-step process is the nitrobenzene method, which is obtained by deoxygenation, hydrogenation and fluorination. With PdCl2-V2O5 as the catalyst and carbon monoxide as the reducing agent, the reaction was carried out at 160°C for 3h, and the yield of 4-fluoroaniline could reach 90%, with another 10% of aniline as a by-product. With PtO2 as the catalyst, BF3-HF as the fluorinating agent and hydrogen as the reducing agent, the reaction was carried out at 42℃ for 12.5h, with 100% conversion and 95% yield. | | Definition | ChEBI: 4-fluoroaniline is a primary arylamine that is the derivative of aniline in which the hydrogen at position 4 has been substituted by fluorine. It is used as an intermediate in the manufacture of pharmaceuticals, herbicides and plant growth regulators. It is a primary arylamine and a fluoroaniline. | | Synthesis Reference(s) | Journal of the American Chemical Society, 70, p. 654, 1948 DOI: 10.1021/ja01182a065
The Journal of Organic Chemistry, 26, p. 4014, 1961 DOI: 10.1021/jo01068a089 | | General Description | 4-fluoroaniline is a light-colored oily liquid. Mixture of three isomers. Insoluble in water and denser than water. Contact may cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals. The barriers to inversion and internal rotation of the NH2 group in 4-fluoroaniline has been investigated by far infrared gas spectra. | | Hazard | Toxic material. | | Flammability and Explosibility | Not classified | | Safety Profile | Poison by ingestion.
Mutation data reported. A severe skin and
eye irritant. When heated to decomposition
it emits very toxic fumes of NOx and F-. |
| | 4-Fluoroaniline Preparation Products And Raw materials |
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