ChemicalBook CAS DataBase List 371-40-4

371-40-4

Name	4-Fluoroaniline
CAS	371-40-4
EINECS(EC#)	206-735-5
Molecular Formula	C6H6FN
MDL Number	MFCD00007829
Molecular Weight	111.12
MOL File	371-40-4.mol

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-

Chemical Properties

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

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 . less more
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) . less more
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-. less more
Hazardous Substances Data	371-40-4(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

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.

371-40-4

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

Hazard

Chemical Properties

Uses

Uses

Definition

Preparation

Synthesis Reference(s)

General Description

Flammability and Explosibility

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information