4-(Trifluoromethyl)nicotinamide

Basic Information

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CAS Number

158062-71-6

Molecular Formula

C7H5F3N2O

Molecular Weight

190.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

165°C

Boiling Point

292 ºC at 760 mmHg

Density

1.409

Flash Point

130.4 ºC

Refractive Index

1.479

SMILES

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C1=CN=CC(=C1C(F)(F)F)C(=O)N

InChI

InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)

InChIKey

JUIWZYBJXUPIKF-UHFFFAOYSA-N

LogP

1.1993

Topological Polar Surface Area

55.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

204

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SR-01000634926-1
BCP09656
DTXSID10382187
SCHEMBL1966341
4-(Trifluoromethyl)nicotinamide
4-Trifluoromethylnicotinamide
AKOS006229200
AMY7869
4-trifluoromethyl-3-pyridine carboxamide
tfna-am
4346BHK4MJ
4-Trifluoromethylnicotinamide 100 microg/mL in Acetonitrile
CS-0042846
4-trifluoromethyl-nicotinamide
4-(trifluoromethyl)pyridine-3-carboxamide
AC-29106
3-Pyridinecarboxamide, 4-(trifluoromethyl)-
SY031225
4-Trifluoromethyl-3-pyridinecarboxamide
Q27258613
HMS559A19
FS-1731
A809897
Maybridge1_006179
UNII-4346BHK4MJ
4-(trifluoromethyl)-3-pyridinecarboxamide
FT-0643540
158062-71-6
CCG-45140
NS00067410
4-(trifluoromethyl) nicotinamide

MDL Number

MFCD00126658

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6)?

4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6) is a crystalline white powder with a molecular weight of approximately 220.11 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and acetonitrile. The compound is generally stable under normal conditions but can react with strong bases. It is used in various applications due to its chemical stability and reactivity.

How is 4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6) typically synthesized?

4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6) can be synthesized by reacting 4-chloronicotinamide with a trifluoromethylating agent such as trifluoromethyl chloroformate in the presence of a base like pyridine. The reaction is typically carried out in anhydrous conditions to enhance yield and selectivity. This compound is synthesized using common laboratory techniques and is known for its good yield and purity.

What industries use 4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6)?

4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6) is widely used in pharmaceuticals for the development of certain therapeutic agents. It is also utilized in the production of electronic materials, particularly in semiconductor fabrication, and in the manufacturing of certain polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling 4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6)?

When handling 4-(Trifluoromethyl)nicotinamide (CAS: 158062-71-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, it should be cleaned up immediately using appropriate methods, and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.