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F3606

Sigma-Aldrich

3-Fluoroaniline

99%

Synonym(s):

1-Amino-3-fluorobenzene

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About This Item

Linear Formula:
FC6H4NH2
CAS Number:
372-19-0
Molecular Weight:
111.12
Beilstein:
1305471
EC Number:
206-747-0
MDL number:
MFCD00007758
UNSPSC Code:
12352100
PubChem Substance ID:
24894850
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.542 (lit.)

bp

186 °C/756 mmHg (lit.)

density

1.156 g/mL at 25 °C (lit.)

SMILES string

Nc1cccc(F)c1

InChI

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

InChI key

QZVQQUVWFIZUBQ-UHFFFAOYSA-N

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Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

170.6 °F - closed cup

Flash Point(C)

77 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000231484
0000231484
0000190810
0000190810
BCCG5884

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N H Cnubben et al.
Chemico-biological interactions, 85(2-3), 151-172 (1992-12-01)
The in vitro and in vivo metabolism of monofluoroanilines was investigated. Special attention was focused on the regioselectivity of the aromatic hydroxylation by cytochromes P-450 and the mechanism by which this reaction might proceed. The results clearly demonstrate that the
The many roles for fluorine in medicinal chemistry.
William K Hagmann
Journal of medicinal chemistry, 51(15), 4359-4369 (2008-06-24)
Stéphanie Romand et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 63, 14-21 (2014-07-06)
A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) were compared: (i) a hydroxypropylcellulose (HPC) coated capillary in aqueous medium and

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