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

Basic Information

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CAS Number

84905-80-6

Molecular Formula

C6H4ClN3

Molecular Weight

153.57 g/mol

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

190-197 °C

Boiling Point

325.9 °C at 760 mmHg

Density

1.531

Flash Point

180.7℃

SMILES

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Clc1ncnc2cc[nH]c12

InChI

InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H

InChIKey

ZGJDDWOXVGDTSP-UHFFFAOYSA-N

LogP

1.6112999999999997

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine
5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-
4-chloro-5H-pyrrolo[3,2-d]pyrimidine

MDL Number

MFCD06658411

Customs Code

2933990090

FAQ

What is 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 84905-80-6)?

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine is a chemical compound with the CAS number 84905-80-6. It is a heterocyclic compound with a pyrrolo[3,2-d]pyrimidine ring system. This compound has a molecular formula of C5H4ClN4 and is characterized by its yellowish-white solid form at room temperature.

What are the main uses of 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 84905-80-6)?

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine is primarily used in pharmaceuticals as an intermediate in the synthesis of antiviral drugs, particularly for treating influenza. It is also used in the research and development of new antiviral compounds.

Is 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 84905-80-6) safe?

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine is generally considered safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and with protective gloves and goggles. Avoid contact with skin and eyes. Store in a dry, cool place away from direct sunlight and heat sources.

How should 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 84905-80-6) be stored?

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. The storage temperature should not exceed 25°C. Maintain relative humidity below 60% and keep away from sources of ignition and incompatible materials.