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F3800

Sigma-Aldrich

4-Fluoroaniline

99%

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
Beilstein:
742030
EC Number:
206-735-5
MDL number:
MFCD00007829
UNSPSC Code:
12352100
PubChem Substance ID:
24894858
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.539 (lit.)

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

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Signal Word

Danger

Hazard Statements

H302,H314,H373,H410

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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
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
I M Rietjens et al.
Chemico-biological interactions, 77(3), 263-281 (1991-01-01)
Metabolism and bioactivation of fluoroanilines was studied both in vitro in microsomal systems and in vivo. 4-Fluoroaniline and pentafluoroaniline and their non-para fluorinated analogues were used as the model compounds. Special attention was focussed on bioactivation to reactive benzoquinoneimines. Cytochrome
J G Bundy et al.
Xenobiotica; the fate of foreign compounds in biological systems, 32(6), 479-490 (2002-08-06)
1. Little is known about metabolism of xenobiotics by earthworms, despite their importance in soil ecotoxicity testing. Normal earthworms and earthworms treated with antibiotics to ensure inhibition of gut microflora were exposed to two model xenobiotic compounds, 4-fluoroaniline and 4-fluorobiphenyl
Rex Patrick et al.
Journal of pharmaceutical and biomedical analysis, 56(4), 721-727 (2011-08-16)
Collision-induced dissociation (CID) mass spectra of a few haloaniline isomers, (chloroanilines, dichloroanilines, difluoroanilines, chloro-fluoroanilines and bromo-fluoroanilines) were characterized. The mass spectral behaviour of difluoroanilines was different from those of the corresponding regioisomers of the other haloanilines. For all ortho regioisomers
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