2-Fluoro-5-iodopyrimidine

Basic Information

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CAS Number

697300-79-1

Molecular Formula

C4H2FIN2

Molecular Weight

223.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

298.2±32.0°C at 760 mmHg

SMILES

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C1=C(C=NC(=N1)F)I

InChI

InChI=1S/C4H2FIN2/c5-4-7-1-3(6)2-8-4/h1-2H

InChIKey

IQFADBWJBWUPMH-UHFFFAOYSA-N

LogP

1.2203

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

72.4

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

Synonyms & References

English

AKOS016003487
EN300-349352
DTXSID50697227
O10782
SB60540
A848096
697300-79-1
SCHEMBL2520311
2-Fluoro-5-iodo-pyrimidine
2-FLUORO-5-IODOPYRIMIDINE
MFCD09038025
DS-17548
SY100478
2-Fluoro-5-iodopyrimidine
0786AC
2-fluoro-5-iodopyrimidine

MDL Number

MFCD09038025

FAQ

What are the physical and chemical properties of 2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1)?

2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1) is a white or off-white crystalline solid with a molecular weight of approximately 287.03 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetonitrile. The compound is known for its reactive nature, particularly with nucleophiles, and it shows good stability under normal conditions but requires careful handling to prevent hydrolysis.

How is 2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1) typically synthesized?

2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1) is typically synthesized through a multi-step process involving the iodination of a 2-fluoropyrimidine derivative. Commonly, the reaction uses iodine and a Lewis acid such as aluminum chloride as a catalyst. The yield is around 60-70%, and the reaction is carried out in an aprotic solvent like dichloromethane. The product is purified through recrystallization and characterized by NMR and mass spectrometry.

What industries use 2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1)?

2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the semiconductor industry for producing photolithography resists and in the polymer industry for developing novel materials with specific thermal and mechanical properties. Additionally, it is used in the development of sensors for detecting specific chemical and biological entities.

What precautions should be taken when handling 2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1)?

When handling 2-Fluoro-5-iodopyrimidine (CAS: 697300-79-1), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Operations should be carried out in a well-ventilated fume hood to minimize exposure to air. In case of spillage, immediately clean up the area using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. Always refer to the latest SDS for detailed safety information.