4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Basic Information

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CAS Number

123148-78-7

Molecular Formula

C6H3ClIN3

Molecular Weight

279.47 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

Melting Point

200.0 to 204.0 deg-C

Boiling Point

241.0±50.0°C at 760 mmHg

Density

2.284

Water Solubility

Insoluble in water.

Refractive Index

1.804

SMILES

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C1=C(C2=C(N1)N=CN=C2Cl)I

InChI

InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)

InChIKey

CBWBJFJMNBPWAL-UHFFFAOYSA-N

LogP

2.2159000000000004

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

157

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

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

HY-77336
MFCD09263258
CS-M1580
PB27990
123148-78-7
2Y-0261
SCHEMBL61206
W-205158
C3130
4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine
7H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-5-IODO-
DTXSID00564258
CHEMBL540994
FT-0646880
4-chloro-5-iodo-7H-pyrrolo-[2,3-d]pyrimidine
EN300-171142
AKOS015914474
4-chloro-5-iodo-7-H-pyrrolo[2,3-d]-pyrimidine
BCP07177
AKOS015850517
4Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
6-Chloro-7-iodo-7-deazapurine
BDBM50414152
4-chloro-5-iodo-7H-pyrrolo[2,3-d]-pyrimidine
4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Z1269153491
AC-30827
4-Chloro-5-iodo-pyrrolo[2,3-d]-pyrimidine
4-CHLORO-5-IODOPYRROLO[2,3-D]PYRIMIDINE
4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidine

MDL Number

MFCD09263258

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CAS: 123148-78-7)?

4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is a crystalline solid with a molecular weight of approximately 343.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMSO and DMF. The compound is moderately reactive, showing good stability under acidic and basic conditions but can degrade under strong oxidizing agents. It is a key intermediate in the synthesis of pharmaceuticals and other organic compounds.

How is 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CAS: 123148-78-7) typically synthesized?

4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is typically synthesized via a multi-step process involving the iodination of 4-chloropyrimidine followed by pyrrole addition. Common catalysts include iodine and pyridine, and the reaction proceeds with high selectivity and good yield under appropriate conditions, usually in organic solvents.

What industries use 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CAS: 123148-78-7)?

4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is used in the pharmaceutical industry as an intermediate for synthesizing antiviral drugs and other biologically active compounds. It is also used in polymer synthesis and as a component in sensors for detecting various chemical and biological agents.

What precautions should be taken when handling 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CAS: 123148-78-7)?

Proper handling of 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine requires the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In case of spills, immediate cleanup should be performed using appropriate absorbent materials, and the area should be decontaminated. Refer to the safety data sheet (SDS) for specific instructions and emergency procedures.