2-Iodoisonicotinic acid

Basic Information

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CAS Number

58481-10-0

Molecular Formula

C6H4INO2

Molecular Weight

249.01 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

225-230 °C

Boiling Point

466.5 °C at 760 mmHg

Density

2.123

Flash Point

236 °C

Refractive Index

1.677

SMILES

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C1=CN=C(C=C1C(=O)O)I

InChI

InChI=1S/C6H4INO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

InChIKey

FALCXGCLOUKBSP-UHFFFAOYSA-N

LogP

1.3844

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

140

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Sensitiveness

light-sensitive

Synonyms & References

English

58481-10-0
2-Iodo-isonicotinic acid
DTXSID60561304
2-Iodopyridine-4-carboxylic acid, 95%
AS-57930
AB29977
AKOS015891947
2-Iodo-4-pyridinecarboxylic acid
CS-W003990
J-509731
FT-0603746
2-IODOISONICOTINIC ACID
2-Iodopyridine-4-carboxylicacid
SCHEMBL2353747
FALCXGCLOUKBSP-UHFFFAOYSA-N
AC-22803
2-Iodopyridine-4-carboxylic acid
MFCD06800803
4-PYRIDINECARBOXYLIC ACID, 2-IODO-
SY275245
AMY10890
A8277
2-Iodoisonicotinic acid
2-IODO-ISONICOTINIC ACID
4-Pyridinecarboxylicacid, 2-iodo-

MDL Number

MFCD06800803

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Iodoisonicotinic acid (CAS: 58481-10-0)?

2-Iodoisonicotinic acid is a crystalline solid with a molecular weight of approximately 225.02 g/mol. It has a high solubility in water and poor solubility in organic solvents. The compound is moderately reactive, particularly under acidic conditions, and can undergo substitution reactions. It is stable under normal conditions but may decompose at high temperatures.

How is 2-Iodoisonicotinic acid (CAS: 58481-10-0) typically synthesized?

2-Iodoisonicotinic acid is typically synthesized by reacting nicotinic acid with iodine in the presence of a suitable catalyst, such as potassium carbonate. The reaction is carried out in a polar aprotic solvent like dimethylformamide (DMF) at room temperature. The yield is usually around 80%, and the product is isolated by crystallization from aqueous solution.

What industries use 2-Iodoisonicotinic acid (CAS: 58481-10-0)?

2-Iodoisonicotinic acid is used in various industries, primarily in pharmaceuticals for the synthesis of certain drugs. It also finds application in the preparation of materials for sensors and semiconductors. Its use in polymers is limited but explored for specific functional polymer applications.

What precautions should be taken when handling 2-Iodoisonicotinic acid (CAS: 58481-10-0)?

When handling 2-Iodoisonicotinic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves and goggles. Handle the compound in a well-ventilated area or fume hood to avoid inhalation of its vapors. Spills should be cleaned up with caution, using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information.