2-(Trifluoromethoxy)benzonitrile

Basic Information

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CAS Number

63968-85-4

Molecular Formula

C8H4F3NO

Molecular Weight

176.14 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

62°C/8mmHg

Density

1.245

Flash Point

80-82℃/15mm

Refractive Index

1.449

SMILES

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

InChI

InChI=1S/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H

InChIKey

ACNBBQGAWMHXLA-UHFFFAOYSA-N

LogP

2.893620000000001

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

217

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

AC-3194
o-(Trifluoromethoxy)benzonitrile
SCHEMBL103547
FT-0608940
2-trifluoromethoxybenzonitrile
UNII-ZTZ6VCH4SH
NS00053046
2-(Trifluoromethoxy)benzonitrile
InChI=1/C8H4F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H
Benzonitrile, 2-(trifluoromethoxy)-
DS-1104
63968-85-4
DTXSID70213807
O10541
T2371
AM20060077
PS-8461
ZTZ6VCH4SH
MFCD00042409
BENZONITRILE, O-(TRIFLUOROMETHOXY)-
o-trifluoromethoxybenzonitrile
ACNBBQGAWMHXLA-UHFFFAOYSA-
CS-0043128
SY005020
AKOS005255045
EN300-113071
EINECS 264-584-0
A1753
o-Cyanotrifluoromethoxybenzene
trifluoromethoxy-benzonitrile
2-(trifluoromethoxy)benzenecarbonitrile

MDL Number

MFCD00042409

Customs Code

2926909090

FAQ

What is 2-(Trifluoromethoxy)benzonitrile (CAS: 63968-85-4)?

2-(Trifluoromethoxy)benzonitrile is an organic compound with the CAS number 63968-85-4. It is a colorless liquid with a molecular formula of C8H4F3NO. This compound is characterized by its trifluoromethoxy group and benzonitrile moiety. It is commonly used as a precursor in organic synthesis and in various industrial applications.

What are the main uses of 2-(Trifluoromethoxy)benzonitrile (CAS: 63968-85-4)?

2-(Trifluoromethoxy)benzonitrile is widely used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It also finds applications in the chemical industry for its reactivity and functional groups. Additionally, it is utilized in research settings for its unique chemical properties.

Is 2-(Trifluoromethoxy)benzonitrile (CAS: 63968-85-4) safe?

2-(Trifluoromethoxy)benzonitrile is generally safe when handled properly. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight. Care should be taken to avoid inhalation or ingestion, and it should be disposed of according to local regulations.

How should 2-(Trifluoromethoxy)benzonitrile (CAS: 63968-85-4) be stored?

2-(Trifluoromethoxy)benzonitrile should be stored in a cool, dry place with a temperature range of 15-25°C. It should be kept away from direct sunlight and other sources of heat. The container should be tightly sealed to prevent moisture and air exposure. It is recommended to store it in a well-ventilated area and avoid contact with incompatible materials such as acids and bases.