2,4-Dichloro-5-iodopyrimidine

Basic Information

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CAS Number

13544-44-0

Molecular Formula

C4HCl2IN2

Molecular Weight

274.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

68.0 to 72.0 deg-C

Boiling Point

310.2 °C at 760 mmHg

Density

2.255

Flash Point

141.4 °C

Refractive Index

1.662

SMILES

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

InChI

InChI=1S/C4HCl2IN2/c5-3-2(7)1-8-4(6)9-3/h1H

InChIKey

RGJNPJRAXMSHKN-UHFFFAOYSA-N

LogP

2.388

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

103

Safety Information

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GHS Hazard Pictograms

H301

H315

H318

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

D4122
2,4-Chloro-5-iodopyrimidine
NCIOpen2_006533
2,4-Dichloro-5-iodopyrimidine
AC-1289
5-iodo-2,4-dichloropyrimidine
GS-5894
Z1269214376
SCHEMBL117265
BCP22998
MFCD01898087
NSC-97872
NSC97872
13544-44-0
2, 4-dichloro-5-iodopyrimidine
AB10498
2,4-Dichloro-5-iodopyrimidine, 95%
CS-W002862
RGJNPJRAXMSHKN-UHFFFAOYSA-N
5-iodo-2, 4-dichloropyrimidine
2,4-Dichloro-5-iodo-pyrimidine
DTXSID90294754
NSC 97872
FT-0602319
W-201138
SY009554
EN300-252921
AM20080261
AKOS002665245
2,4-Dichloro-5-nitropyridine
5-IODO-2,4-DICHLOROPYRIMIDINE

MDL Number

MFCD01898087

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-5-iodopyrimidine (CAS: 13544-44-0)?

2,4-Dichloro-5-iodopyrimidine is a crystalline compound with a molecular weight of approximately 319.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetonitrile and dimethylformamide. Chemically, it is relatively stable but can undergo nucleophilic substitution reactions. It is a solid at room temperature and is typically stored in a dry, dark place to prevent photodegradation.

How is 2,4-Dichloro-5-iodopyrimidine (CAS: 13544-44-0) typically synthesized?

2,4-Dichloro-5-iodopyrimidine is typically synthesized through a substitution reaction where an iodine atom is introduced into the pyrimidine ring. The synthesis involves the reaction of 2,4-dichloropyrimidine with iodine in the presence of a Lewis acid catalyst, such as iron(III) chloride. The yield and selectivity of the reaction depend on the reaction conditions, including temperature and solvent choice.

What industries use 2,4-Dichloro-5-iodopyrimidine (CAS: 13544-44-0)?

2,4-Dichloro-5-iodopyrimidine is used in the pharmaceutical industry for the synthesis of specific drug intermediates. It also finds applications in the semiconductor industry for the production of certain photolithography resists and in the field of sensors for its unique chemical reactivity.

What precautions should be taken when handling 2,4-Dichloro-5-iodopyrimidine (CAS: 13544-44-0)?

When handling 2,4-Dichloro-5-iodopyrimidine, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up immediately using appropriate absorbent materials. In case of accidental ingestion or skin contact, seek medical attention and refer to the Safety Data Sheet (SDS) for further guidance.