2,4,6-Trifluorobenzonitrile

Basic Information

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CAS Number

96606-37-0

Molecular Formula

C7H2F3N

Molecular Weight

157.09 g/mol

Chemical Classification

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

Melting Point

58.0 to 61.0 deg-C

Boiling Point

228.5℃/760mmHg

Density

1.2465 (estimate)

Flash Point

92℃

Refractive Index

1.413

SMILES

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C1=C(C=C(C(=C1F)C#N)F)F

InChI

InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

InChIKey

HTKFGTCCOJIUIK-UHFFFAOYSA-N

LogP

1.97558

Complexity

173

Safety Information

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GHS Hazard Pictograms

H331

H302

H312

H315

H319

H335

Hazard Statement

H331 Toxic if inhaled
Acute toxicity, inhalation

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2,4,6-Trifluorobenzonitrile
2,4,6-Trifluorobenzo
2,3-DIHYDROXY STYRENE
2,4,6-Ditrfluorobenzonitrile
2,4,6-F3-C6H2CN
2,4,6-Trifluoro-benzonitrile
NC-2,4,6-F3-C6H2
2,4,6-Trifluorobenzonitrile 98%
2,4,6-Trifluorobenzonitrile98%
2,4,6-TRIFLUOROBENZONITRILE,99%
Benzonitrile, 2,4,6-trifluoro-
2,4,6-trifluorobenzenecarbonitrile
PubChem1565
KSC488G9F
HTKFGTCCOJIUIK-UHFFFAOYSA-N
BCP13068
BBL102000
STL555797
SBB064041
TRA0074040
AS01711
CM13152
SY006748
AB0011
2,4,6-Trifluorobenzonitrile (ACI)
2-(Ethylthio)-4,6-difluorobenzonitrile
2,4,6-trifluorobenzonitrile
2,4,6-trifluoro-benzonitrile
103498-69-7
MFCD00042399
AKOS005762911

MDL Number

MFCD00042399

Customs Code

2926909090

FAQ

What is 2,4,6-Trifluorobenzonitrile (CAS: 96606-37-0)?

2,4,6-Trifluorobenzonitrile is a colorless or white crystalline solid with the chemical formula C₇F₃N. It is known for its strong, pungent odor and its ability to act as a nitrile and a fluoroarene. It is widely used in the synthesis of pharmaceuticals and flame retardants.

What are the main uses of 2,4,6-Trifluorobenzonitrile (CAS: 96606-37-0)?

2,4,6-Trifluorobenzonitrile is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the preparation of flame retardants, and as a building block in organic synthesis and polymer chemistry.

Is 2,4,6-Trifluorobenzonitrile (CAS: 96606-37-0) safe?

2,4,6-Trifluorobenzonitrile can be toxic if ingested, inhaled, or absorbed through the skin. It is important to handle it with appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from incompatible substances. Following safety standards and guidelines is crucial for safe handling.

How should 2,4,6-Trifluorobenzonitrile (CAS: 96606-37-0) be stored?

2,4,6-Trifluorobenzonitrile should be stored in a tightly sealed container in a cool, dry, and well-ventilated place. It should be kept away from heat, sources of ignition, and incompatible materials such as strong oxidizers. Avoid exposure to direct sunlight and maintain a temperature below 30°C. Proper storage ensures its stability and minimizes the risk of accidents.