[3,5-Bis(trifluoromethyl)phenyl]acetonitrile

Basic Information

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CAS Number

85068-32-2

Molecular Formula

C10H5F6N

Molecular Weight

253.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

195.4 °C at 760 mmHg

Density

1.42 g/mL at 25 °C

Solubility

Difficult to mix.

Refractive Index

n20/D 1.4234(lit.)

SMILES

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

InChI

InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2

InChIKey

YXGWYBUKRTYHJM-UHFFFAOYSA-N

LogP

3.79028

Complexity

287

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-(3,5-Bis(trifluoromethyl)phenyl)acetonitrile
3,5-Bis(trifluoromethyl)phenylacetonitrile
2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
3,5-Bis(trifluoromethyl)benzyl cyanide
[3,5-Bis(trifluoromethyl)phenyl]acetonitrile
3,5-di(trifluoromethyl)benzyl cyanide
3,5-Bis(trifluoromethyl)-phenylacetonitrile
(3,5-Bis(trifluoromethyl)phenyl)acetonitrile
Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-
YXGWYBUKRTYHJM-UHFFFAOYSA-N
3,5-bis(trifluoromethyl)benzylcyanide
2-[3,5-bis(trifluoromethyl)p
3,5-Bis(trifluoromethyl)benzyl Cyanide

MDL Number

MFCD00009904

Customs Code

2926909090

FAQ

What is [3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2)?

[3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) is an organic compound with the molecular formula C9H4F6N. It is a colorless liquid with a pungent odor. This compound is used in various applications such as pharmaceuticals and research due to its unique chemical properties.

What are the main uses of [3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2)?

[3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) is primarily used in pharmaceuticals for the synthesis of certain drugs. It also finds applications in research and chemical synthesis due to its chemical reactivity and stability.

Is [3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) safe?

[3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) is generally safe when handled properly. However, it is toxic and should be used with appropriate protective equipment. Exposure to the skin, eyes, and inhalation should be avoided. Proper ventilation is essential during handling.

How should [3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) be stored?

[3,5-Bis(trifluoromethyl)phenyl]acetonitrile (CAS: 85068-32-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent evaporation and contamination. The storage area should have proper ventilation to ensure safety and prevent the accumulation of fumes.