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

Basic Information

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CAS Number

3680-69-1

Molecular Formula

C6H4ClN3

Molecular Weight

153.57 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

Solid

Melting Point

188°C

Boiling Point

325.9°C at 760 mmHg

Density

1.5310

Flash Point

180.7℃

Solubility

Soluble in DMSO, ethyl acetate and methanol.

Refractive Index

1.702

SMILES

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Clc1ncnc2[nH]ccc12

InChI

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

InChIKey

BPTCCCTWWAUJRK-UHFFFAOYSA-N

LogP

1.6112999999999997

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

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 6.1 Class 6.1

Synonyms & References

English

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
4-Chloro-1H-pyrrolo[2,3-d]pyrimidine
6-Chloro-7-deazapurine
4-Chloro-1H-pyrrolo(2,3-d)pyrimidine
4-Chloro-5H-pyrrolo[2,3-d]pyrimidine
4-chloro-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine
4-chloro-7H-pyrrolo-(2,3-d)pyrimidine
4-chloro-7H-pyrrolo[2,3-d]-pyrimidine
4-chloropyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-
4-Chloropyrrolo(2,3-d)pyrimidine
7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
Tofacitinib Impurity 06
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-
MLS002693495
BPTCCCTWWAUJRK-UHFFFAOYSA-N
6-Chloro-7-deazapurine (4-Chloro-1h-pyrrolo(2,3-d)pyrimidine)
4-Chloro-7H-pyrrolo(

MDL Number

MFCD01686865

Customs Code

2942000000

FAQ

What is 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1)?

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) is a heterocyclic organic compound containing a pyrrolopyrimidine ring with a chlorine substituent at the 4-position. It has a molecular formula of C5H4ClN3 and is known for its aromatic structure and chemical reactivity. This compound is commonly used in chemical synthesis and research due to its versatile functional groups and potential biological activity.

What are the main uses of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1)?

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) is primarily used in pharmaceutical research as a building block for developing drugs, particularly in the synthesis of nucleoside analogs and antiviral agents. It also finds applications in organic chemistry for creating derivatives with various biological and industrial properties, including potential uses in agrochemicals and materials science.

Is 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) safe?

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) is generally considered safe when handled properly, but it should be treated with caution due to its potential irritant properties. It is recommended to use appropriate personal protective equipment (PPE) such as gloves and goggles, and to follow standard safety protocols for chemical handling. Safety data sheets (SDS) should be consulted for detailed guidelines.

How should 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) be stored?

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 3680-69-1) should be stored in a cool, dry, and well-ventilated area, away from direct light and moisture. It is best kept in a sealed container made of inert material such as glass or stainless steel to prevent contamination and degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% for optimal stability.