4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid

Basic Information

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CAS Number

75092-30-7

Molecular Formula

C5H5IN2O2

Molecular Weight

252.01 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

242°C

Boiling Point

362.2°C at 760 mmHg

Density

2.26

Flash Point

172.9°C

Refractive Index

1.726

SMILES

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CN1C(=C(C=N1)I)C(=O)O

InChI

InChI=1S/C5H5IN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)

InChIKey

SZRMOKQNOJYMNK-UHFFFAOYSA-N

LogP

0.7229000000000001

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

153

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-iodo-1-methylpyrazole-5-carboxylic acid
SZRMOKQNOJYMNK-UHFFFAOYSA-N
Z275170124
AKOS000302042
RS-0310
EU-0035610
MFCD00461121
F0451-3249
SCHEMBL2588985
IFLab1_001913
A9586
FT-0678450
I0786
75092-30-7
SR-01000407658
HMS1417G21
CS-W019493
AM20100729
EN300-83506
BB 0254493
4-iodo-2-methylpyrazole-3-carboxylic acid
SR-01000407658-1
DTXSID60350098
1h-pyrazole-5-carboxylic acid, 4-iodo-1-methyl-
4-iodo-1-methyl-1H-pyrazole-5-carboxylicacid
SY033485
4-iodo-2-methyl-2 h-pyrazole-3-carboxylic acid
4-Iodo-2-methyl-2H-pyrazole-3-carboxylic acid
4-iodo-1-methyl-1H-pyrazole-5-carboxylic acid
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid
4-Iodo-1-methylpyrazole-5-carboxylic Acid

MDL Number

MFCD00461121

FAQ

What are the physical and chemical properties of 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7)?

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7) is a crystalline solid with a molecular weight of approximately 279.04 g/mol. It has low solubility in water but is soluble in organic solvents like DMSO and methanol. The compound is moderately reactive, particularly with nucleophiles. It has a melting point of around 225°C and shows good stability under normal conditions.

How is 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7) typically synthesized?

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid is typically synthesized via a multistep process involving the iodination of 1-methyl-1H-pyrazole-5-carboxylic acid. This can be achieved using iodine in the presence of a base like sodium hydride. The yield is generally around 70-80% with good selectivity. The reaction is performed under anhydrous conditions to prevent side reactions.

What industries use 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7)?

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7) finds applications in the pharmaceutical industry for its potential use as a precursor in drug synthesis. It is also used in the chemical industry for developing new materials, particularly in the synthesis of dyes and pigments. Additionally, it has potential uses in analytical chemistry for developing sensors and in materials science for semiconductors and polymers.

What precautions should be taken when handling 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7)?

When handling 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid (CAS: 75092-30-7), appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. Store it in a cool, dry place away from incompatible materials. Use a fume hood during handling to minimize exposure. In case of a spill, dispose of the material according to local regulations and refer to the safety data sheet (SDS) for detailed instructions.