2-Fluoro-5-(trifluoromethoxy)benzonitrile

Basic Information

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CAS Number

886498-08-4

Molecular Formula

C8H3F4NO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Refractive Index

1.4385

SMILES

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C1=CC(=C(C=C1OC(F)(F)F)C#N)F

InChI

InChI=1S/C8H3F4NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H

InChIKey

MFLGNKVMGUFLOV-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

244

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Fluoro-5-(trifluoromethoxy)benzonitrile
2-Fluoro-5-(trifluoromethoxy)benzonitrile (ACI)
2-Fluoro-5-trifluoromethoxybenzonitrile
2-fluoranyl-5-(trifluoromethyloxy)benzenecarbonitrile
SY227906
DTXSID20411038
CS-0084820
886498-08-4
MFCD04115894
S10870
AKOS005257694
SCHEMBL1263373
JS-4258
A842804
2-Fluoro-5-trifluoromethoxy-benzonitrile
BBL101241
STL555037
DB-078090
A21188
DTXCID50361890

MDL Number

MFCD04115894

FAQ

What regulatory guidelines apply to 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4)?

2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a toxic substance. In the European Union, it falls under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. For use in the United States, it is subject to the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) guidelines for handling and use.

Are there alternatives to 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) in synthesis?

Alternatives to 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) in synthesis include 2-Chloro-5-(trifluoromethoxy)benzonitrile and 2-Iodo-5-(trifluoromethoxy)benzonitrile, which can serve similar functional group requirements but with different reactivity profiles. Other common reagents, such as 2-Bromo-5-(trifluoromethoxy)benzonitrile, can also be considered as substitutes depending on the specific synthetic route.

What is the market or research trend for 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4)?

The market for 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) is growing due to its use in pharmaceutical and agrochemical industries. Research trends are focused on its applications in drug synthesis and as an intermediate for developing new molecules. The increasing emphasis on green chemistry and sustainable processes may also influence the research and development of this compound.

How should waste containing 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) be handled?

Waste containing 2-Fluoro-5-(trifluoromethoxy)benzonitrile (CAS: 886498-08-4) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, it should be incinerated in an approved waste incinerator or handed over to a professional waste disposal service. Proper environmental protection precautions, including the use of personal protective equipment (PPE), should be followed to prevent exposure and environmental contamination.