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Merck
CN

235822

间氟苯腈

98%

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线性分子式:
FC6H4CN
化学文摘社编号:
分子量:
121.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
206-963-5
MDL number:
Assay:
98%
Form:
liquid
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InChI key

JZTPKAROPNTQQV-UHFFFAOYSA-N

InChI

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

SMILES string

Fc1cccc(c1)C#N

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.)

functional group

fluoro, nitrile

Application

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

General description

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

pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

存储类别

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

ppe

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

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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)
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)
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
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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