2,3,4-Trifluorobenzonitrile

Basic Information

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CAS Number

143879-80-5

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

95-99C

Boiling Point

116-118 ºC (100 mmHg)

Density

1.12

Flash Point

68 ºC

Refractive Index

1.471-1.473

SMILES

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C1=CC(=C(C(=C1C#N)F)F)F

InChI

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

InChIKey

KTPHYLJFAZNALV-UHFFFAOYSA-N

LogP

1.97558

Complexity

185

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

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

CS-0094224
BENZONITRILE, 2,3,4-TRIFLUORO-
trifluorobenzonitrile
2,3,4-Trifluoro-benzonitrile
AM20020491
J-506866
143879-80-5
AKOS006222082
MFCD00013288
SCHEMBL365967
T2305
CK1060
AC-26103
PS-10156
FT-0609381
2,3,4-trifluoro benzonitrile
DTXSID30333853
Z1203162174
Benzonitrile, trifluoro-
EN300-112208
2,3,4-Trifluorobenzonitrile
2,3,4,5,6-PENTAFLUOROPHENYL 2,4,6-TRIMETHYLBENZENESULPHONATE
3-flurobenzoyl chloride
Benzonitrile, 2,3,4-trifluoro- (9CI)
2,3,4-Trifluorobenzonitrile 98%
2,3,4-Trifluorobenzonitrile98%
2,3,4-difluorobenzonitrile
KTPHYLJFAZNALV-UHFFFAOYSA-N
2,3,4-trifluorobenzenecarbonitrile
PubChem1572
KSC494G9L

MDL Number

MFCD00013288

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5)?

2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5) is a colorless to light yellow liquid. It has a boiling point of 173.9°C and a melting point of -16.6°C. The molecular weight is 178.09 g/mol. It is slightly soluble in water but miscible with most organic solvents. This compound is known for its reactivity with nucleophiles and electrophiles, making it useful in various synthetic transformations.

How is 2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5) typically synthesized?

2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5) can be synthesized via alkylation of 2,3,4-trifluorobenzoic acid with hydrogen cyanide. Commonly, a phase-transfer catalyst is used to improve yield and selectivity. The reaction typically occurs at elevated temperatures and involves the formation of an intermediate salt that is further converted to the nitrile.

What industries use 2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5)?

2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5) is primarily used in the pharmaceutical and polymer industries for the synthesis of medicinals and plastics. It is also applied in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5)?

When handling 2,3,4-Trifluorobenzonitrile (CAS: 143879-80-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a fume hood to minimize exposure to fumes. In case of a spill, immediately evacuate the area and follow the emergency procedures outlined in the Safety Data Sheet (SDS). This compound is flammable and may release toxic fumes upon contact with water or air, so avoid inhaling vapors and handle it with care.