3-Bromo-5-(trifluoromethoxy)benzonitrile

Basic Information

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CAS Number

914635-52-2

Molecular Formula

C8H3BrF3NO

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

SMILES

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

InChI

InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H

InChIKey

PQPKERBGCBHRJO-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

247

Synonyms & References

English

3-Bromo-5-(trifluoromethoxy)benzonitrile
3-Bromo-5-(trifluoromethoxy)benzonitrile (ACI)
CS-0130927
SCHEMBL26129077
DTXSID40660162
MFCD08458074
AKOS005258896
DB-366186
AS-46448
CL9664
914635-52-2

MDL Number

MFCD08458074

FAQ

What is 3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2)?

3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) is an organic compound. It has a molecular formula of C9H5BrF3NO and is known for its unique bromine and trifluoromethoxy functional groups. This compound is often used in the synthesis of pharmaceuticals and other organic molecules due to its reactive and stable nature.

What are the main uses of 3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2)?

3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) is primarily used as an intermediate in the pharmaceutical industry. It plays a crucial role in the synthesis of various drugs and is also utilized in the development of new chemical compounds for research purposes.

Is 3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) safe?

3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, such as wearing protective gloves and glasses, and working in a well-ventilated area. Exposure to the compound should be minimized, and contact with skin or eyes should be avoided.

How should 3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) be stored?

3-Bromo-5-(trifluoromethoxy)benzonitrile (CAS: 914635-52-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a tightly sealed container to prevent contamination and degradation. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 50%.