4-Fluoro-2-nitrobenzonitrile

Basic Information

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CAS Number

80517-21-1

Molecular Formula

C7H3FN2O2

Molecular Weight

166.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

71 °C

Boiling Point

311.6℃ at 760 mmHg

SMILES

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C1=CC(=C(C=C1F)[N+](=O)[O-])C#N

InChI

InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H

InChIKey

MNEAKKQYFSYZEU-UHFFFAOYSA-N

LogP

2.12878

Complexity

229

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Cyano-5-fluoronitrobenzene
4-fluoro-2-nitrobenzonitrile
MFCD00277447
80517-21-1
AKOS005257815
DTXSID50379152
FT-0618463
SCHEMBL404745
AM20060266
A9955
Benzonitrile, 4-fluoro-2-nitro-
DS-1207
SY020840
EN300-104065
MNEAKKQYFSYZEU-UHFFFAOYSA-N
J-515351
AC-4089
CS-W002604
4-Fluoro-2-nitrobenzonitrile
Benzonitrile,4-fluoro-2-nitro-
PubChem4795
4-Fluoro-2-nitrobenzonitrle
KSC497Q7L
4-fluoro-2-nitro-benzonitrile
4-fluoro-2-nitrobenzenecarbonitrile
SBB055173
VZ29005
TRA0077603
RP02452
AS01690
LS10257

MDL Number

MFCD00277447

Customs Code

2926909090

FAQ

What is 4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1)?

4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) is an organic compound with the molecular formula C7H4FN2O2. It is a colorless to white crystalline solid with a pungent odor. It is used in pharmaceuticals and chemical synthesis due to its reactivity and functional groups.

What are the main uses of 4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1)?

4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) is primarily used as a precursor in the synthesis of pharmaceuticals, pesticides, and other organic compounds. It also serves as a reagent in organic chemistry due to its functional groups.

Is 4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) safe?

4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) is not inherently safe. It requires proper handling and storage to avoid health risks. It is corrosive and may cause skin and eye irritation. It should be used under appropriate Personal Protective Equipment (PPE) and in a well-ventilated area.

How should 4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) be stored?

4-Fluoro-2-nitrobenzonitrile (CAS: 80517-21-1) should be stored in a cool, dry, and well-ventilated place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent contamination and degradation. The temperature should not exceed 25°C, and it should be protected from humidity and moisture.