3-(Trifluoromethyl)isonicotinic acid

Basic Information

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CAS Number

590371-38-3

Molecular Formula

C7H4F3NO2

Molecular Weight

191.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

352.3 °C at 760 mmHg

Density

1.484

Flash Point

352.3 °C at 760 mmHg

Refractive Index

1.475

SMILES

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

InChI

InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)

InChIKey

FBOSFEOQEZQFOC-UHFFFAOYSA-N

LogP

1.79860

Complexity

204

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SY019259
AB43706
AC-25223
CS-W019443
3-(trifluoromethyl)-4-pyridinecarboxylic acid
3-(trifluoromethyl)pyridine-4-carboxylic acid
3-(Trifluoromethyl)isonicotinicacid
3-Trifluoromethyl-isonicotinic acid
DTXSID00649099
4-PYRIDINECARBOXYLIC ACID, 3-(TRIFLUOROMETHYL)-
MFCD08234940
BCP11636
FT-0654931
SCHEMBL115907
A832120
3-(trifluoromethyl)isonicotinic acid, AldrichCPR
3-trifluoromethyl isonicotinic acid
3-(Trifluoromethyl)isonicotinic acid
590371-38-3
3-(trifluoromethyl)pyridine-4-carboxylicacid
BL003418
3-trifluoromethylisonicotinic acid
EN300-75582
Z1179327807
AKOS005063540
GE-0239
J-511034
AM20061357
3-(Trifluoromethyl)pyridine-4-carboxylic acid
3-(TRIFLUOROMETHYL)ISONICOTINIC ACID
4-Pyridinecarboxylic acid, 3-(trifluoromethyl)-

MDL Number

MFCD08234940

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-(Trifluoromethyl)isonicotinic acid (CAS: 590371-38-3)?

3-(Trifluoromethyl)isonicotinic acid (CAS: 590371-38-3) is a crystalline solid with a molecular weight of approximately 217.08 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound exhibits moderate acidity and is prone to protonation, making it susceptible to reactions with bases and nucleophiles.

How is 3-(Trifluoromethyl)isonicotinic acid (CAS: 590371-38-3) typically synthesized?

3-(Trifluoromethyl)isonicotinic acid is commonly synthesized by reacting 3-(trifluoromethyl)isonicotinoyl chloride with a base such as sodium hydroxide or potassium hydroxide in an aqueous medium. The reaction is typically conducted at room temperature with good yield and selectivity.

What industries use 3-(Trifluoromethyl)isonicotinic acid (CAS: 590371-38-3)?

3-(Trifluoromethyl)isonicotinic acid is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of drug molecules. It is also used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-(Trifluoromethyl)isonicotinic acid (CAS: 590371-38-3)?

When handling 3-(Trifluoromethyl)isonicotinic acid, proper personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a laboratory coat. The compound should be stored in a fume hood to minimize exposure to air and to prevent unwanted reactions. Spills should be cleaned up promptly using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.