3-Fluoroisonicotinic acid

Basic Information

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CAS Number

393-53-3

Molecular Formula

C6H4FNO2

Molecular Weight

141.1 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

Melting Point

251-254°C

Boiling Point

360°C at 760 mmHg

Density

1.419 g/cm 3

Flash Point

171.5 oC

Refractive Index

1.541

SMILES

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

InChI

InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

InChIKey

POLXLLIQWDBJMD-UHFFFAOYSA-N

LogP

0.9189

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

140

Safety Information

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Hazard Statement

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 IRRITANT Class IRRITANT

Synonyms & References

English

1-Fluoropyridinium Pyridine Heptafluorodiborate
PS-9028
DTXSID10323070
A6592
3-fluoro-isonicotinic acid
3-fluoro-pyridine-4-carboxylic acid
SY021120
3-Fluoropyridine-4-carboxylic acid
3-fluoro isonicotinic acid
Z1270326283
393-53-3
3-Fluoroisonicotinicacid
AKOS005254563
CS-W001559
3-Fluoropyridine-4-carboxylicacid
3-Fluoro-4-pyridinecarboxylic acid
BP-12627
Q-103090
4-Pyridinecarboxylic acid, 3-fluoro-
NSC-402974
BCP22196
EN300-82886
3-fluoro-4-carboxypyridine
SB10495
3-Fluoro-4-pyridinecarboxylic acid, 97%
FT-0600147
NSC402974
POLXLLIQWDBJMD-UHFFFAOYSA-N
SCHEMBL82604
3-Fluoroisonicotinic acid
3-Fluoro-isonicotinic acid;3-Fluoro-4-carboxypyridine

MDL Number

MFCD03789251

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Fluoroisonicotinic acid (CAS: 393-53-3)?

3-Fluoroisonicotinic acid (CAS: 393-53-3) is a crystalline solid with a molecular weight of approximately 143.08 g/mol. It has a solubility in water of 1.5 g/L at 20°C. This compound is moderately acidic and can react with bases. It is also known for its poor solubility in organic solvents such as ethanol and acetone.

How is 3-Fluoroisonicotinic acid (CAS: 393-53-3) typically synthesized?

3-Fluoroisonicotinic acid (CAS: 393-53-3) can be synthesized by fluorinating isonicotinic acid using a phase transfer catalyst such as tetrabutylammonium fluoride in an aprotic solvent. The reaction typically proceeds with a yield of 80-85%. Other methods involve direct fluorination of nicotinic acid derivatives.

What industries use 3-Fluoroisonicotinic acid (CAS: 393-53-3)?

3-Fluoroisonicotinic acid (CAS: 393-53-3) is used in pharmaceuticals for the synthesis of certain medicinal compounds. It may also be employed in the development of polymers and sensors due to its unique chemical properties. Additionally, this acid can be utilized in semiconductor applications for specific chemical treatments.

What precautions should be taken when handling 3-Fluoroisonicotinic acid (CAS: 393-53-3)?

When handling 3-Fluoroisonicotinic acid (CAS: 393-53-3), proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. Operations should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.