| Identification | More | [Name]
4-Fluoroaniline | [CAS]
371-40-4 | [Synonyms]
1-AMINO-4-FLUOROBENZENE
4-FLUOROANILINE
4-Fluoroaniline p-Fluoroaniline
4-fluorobenzenamine
4-FLUOROBENZENEAMINE
AKOS 91149
AKOS BBS-00003571
LABOTEST-BB LTBB000713
PARA-FLUORO ANILINE
P-FLUOROANILINE
1,4-fluorobenzenamine
4-Fluoranilin
4-fluoranilin(czech)
4-fluoro-anilin
4-fluoro-benzenamin
4-Fluoronaniline
Aniline, 4-fluoro-
Aniline, p-fluoro-
Benzenamine, 4-fluoro-
Benzenamine,4-fluoro- | [EINECS(EC#)]
206-735-5 | [Molecular Formula]
C6H6FN | [MDL Number]
MFCD00007829 | [Molecular Weight]
111.12 | [MOL File]
371-40-4.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to gold-coloured liquid | [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 | [form ]
Oily Liquid | [pka]
4.65(at 25℃) | [color ]
Clear pale yellow to red-brown | [Specific Gravity]
1.173 | [Stability:]
Stable. Incompatible with acids, oxidizing agents. | [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) | [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]
371-40-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
   
GHS05,GHS07,GHS08,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H302-H314-H373-H410 | [Precautionary statements ]
P273-P280-P301+P312-P303+P361+P353-P305+P351+P338-P314 | [Hazard Codes ]
C,T,Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns.
R36/38:Irritating to eyes and skin .
R33:Danger of cumulative effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . | [RIDADR ]
UN 2941 6.1/PG 3
| [WGK Germany ]
1
| [RTECS ]
BY1575000
| [Hazard Note ]
Toxic/Irritant | [TSCA ]
T | [REACH Registrations]
Active | [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 | [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-. | [Hazardous Substances Data]
371-40-4(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Hazard]
Toxic material. | [Chemical Properties]
light yellow to gold-coloured liquid | [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. | [Definition]
ChEBI: 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. | [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. | [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]
The barriers to inversion and internal rotation of the NH2 group in 4-fluoroaniline has been investigated by far infrared gas spectra. | [Flammability and Explosibility]
Notclassified |
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