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Merck
CN

46490

4-Fluoroaniline

technical, ≥97.0% (GC)

Synonym(s):

1-Amino-4-fluorobenzene

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About This Item

Linear Formula:
FC6H4NH2
CAS Number:
371-40-4
Molecular Weight:
111.12
EC Number:
206-735-5
UNSPSC Code:
12352100
PubChem Substance ID:
329757201
Beilstein/REAXYS Number:
742030
MDL number:
MFCD00007829

Key Documents

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grade

technical

assay

≥97.0% (GC)

refractive index

n20/D 1.539 (lit.), n20/D 1.540

bp

187 °C/767 mmHg (lit.)

density

1.173 g/mL at 25 °C (lit.)

SMILES string

Nc1ccc(F)cc1

InChI

1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChI key

KRZCOLNOCZKSDF-UHFFFAOYSA-N

General description

The barriers to inversion and internal rotation of the NH2 group in 4-fluoroaniline has been investigated by far infrared gas spectra.

Application

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.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1C - STOT RE 2

target_organs

Blood,hematopoietic system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

162.9 °F

flash_point_c

72.7 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Far infrared investigation of aniline and 4-fluoroaniline in the vapour phase. Inversion and torsion of the amino group.
Larsen NW, et al.
Chemical Physics Letters, 43(3), 584-586 (1976)
Zhi-Qing Zhao et al.
Biodegradation, 26(1), 1-14 (2014-09-23)
The fate of fluorinated compounds in the environment, especially polyfluorinated aromatics, is a matter of great concern. In this work, 4-Fluoroaniline (4-FA), 2,4-Difluoroanilines (2,4-DFA), and 2,3,4-Trifluoroanilines (2,3,4-TFA), were chosen as the target pollutants to study their biodegradability under aerobic conditions.
G B Scarfe et al.
Xenobiotica; the fate of foreign compounds in biological systems, 29(2), 205-216 (1999-04-13)
1. The urinary metabolic fate of 4-fluoroaniline (4-FA) and 1-[13C]-4-fluoroacetanilide (4-FAA) has been studied using NMR-based methods after 50 and 100 mg kg(-1) i.p. doses respectively to the male Sprague-Dawley rat. 2. 4-FA was both ortho- and para-hydroxylated. The major
Thomas N Zehnder et al.
Dalton transactions (Cambridge, England : 2003), 43(31), 11959-11972 (2014-06-27)
Stable, luminescent, and cationic monocyclometalated gold(iii) monoaryl complexes of the type [(ppy)Au(FMes)(L)](+)[OTf](-) [L = 4-phenylpyridine (), quinoline (), 4-fluoroaniline (), P(OMe)3 (), PPh3 ()], bearing different ancillary ligands, synthesized starting from the precursor complex [(ppy)Au(FMes)(OH2)](+)[OTf](-) () are reported. The preliminary
C V Eadsforth et al.
Xenobiotica; the fate of foreign compounds in biological systems, 16(6), 555-566 (1986-06-01)
o-Fluoroaniline is rapidly metabolized and excreted in rats, rabbits and marmosets. Following a single oral dose of 14C-fluoroaniline of about 20 mg/kg, more than 80% of the dose is excreted in 0-24 h, the urine being the major route of
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