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Sigma-Aldrich

3-Fluorobenzonitrile

98%

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About This Item

Linear Formula:
FC6H4CN
CAS Number:
403-54-3
Molecular Weight:
121.11
EC Number:
206-963-5
MDL number:
MFCD00001797
UNSPSC Code:
12352100
PubChem Substance ID:
24854117
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.5043 (lit.)

bp

182-183 °C/753 mmHg (lit.)

mp

−16 °C (lit.)

density

1.133 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(c1)C#N

InChI

1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChI key

JZTPKAROPNTQQV-UHFFFAOYSA-N

General description

Microwave spectrum of 3-fluorobenzonitrile has been studied. Amination of 3-fluorobenzonitrile with morpholine in DMSO at 100°C has been investigated.

Application

3-Fluorobenzonitrile has been used in the preparation of bis(3-cyanophenoxy)phenylenes.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318,H335

Precautionary Statements

P261 - P280 - P305 + P351 + P338

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)

154.4 °F - closed cup

Flash Point(C)

68 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Improved yields of meta-amination and symmetrical and unsymmetrical diamination of benzenes.
Brown GR, et al.
Tetrahedron Letters, 42(23), 3917-3919 (2001)
Xiaotong Cheng et al.
The Journal of clinical investigation, 130(5), 2237-2251 (2020-01-31)
Hypoxia-inducible factor (HIF) is strikingly upregulated in many types of cancer, and there is great interest in applying inhibitors of HIF as anticancer therapeutics. The most advanced of these are small molecules that target the HIF-2 isoform through binding the
Synthesis of bis (ether nitrile) s and bis (ether acid) s from simplearomatic diols bymeta-fluoro displacement from3-fluorobenzonitrile.
Eastmond GC and Paprotny J.
Journal of Materials Chemistry, 7(8), 1321-1326 (1997)
Microwave spectral study of 3-fluorobenzonitrile.
Dutta A, et al.
Journal of Molecular Spectroscopy, 118(1), 232-236 (1986)
Oriol Planas et al.
Science (New York, N.Y.), 367(6475), 313-317 (2020-01-18)
Bismuth catalysis has traditionally relied on the Lewis acidic properties of the element in a fixed oxidation state. In this paper, we report a series of bismuth complexes that can undergo oxidative addition, reductive elimination, and transmetallation in a manner

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