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Merck
CN

F3800

4-Fluoroaniline

99%

Synonym(s):

1-Amino-4-fluorobenzene

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About This Item

Linear Formula:
FC6H4NH2
CAS Number:
Molecular Weight:
111.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-735-5
Beilstein/REAXYS Number:
742030
MDL number:
Assay:
99%
Form:
liquid
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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



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

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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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
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
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



Global Trade Item Number

SKUGTIN
F3800-500G04061833617250
F3800-100G04061833617236
F3800-25G04061833617243