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

Basic Information

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CAS Number

90213-66-4

Molecular Formula

C6H3Cl2N3

Molecular Weight

188.02 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

White to Yellow Solid

Melting Point

249.0 to 253.0 deg-C

Boiling Point

306.2±24.0 °C at 760 mmHg

Density

1.79

Water Solubility

Soluble in DMSO, ethyl acetate and methanol. Slightly soluble in water.

Flash Point

142.5℃

Refractive Index

1.805

SMILES

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Clc1nc(Cl)c2cc[nH]c2n1

InChI

InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)

InChIKey

GHXBPCSSQOKKGB-UHFFFAOYSA-N

LogP

2.2647

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

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
2,6-Dichloro-7-deazapurine
2,4-Dichloro-1H-pyrrolo(2,3-d)pyrimidine
2,4-Dichloro-1H-pyrrolo[2,3-d]pyrimidine
2,4-dichloro-7H-pyrrolo (2,3-d)pyrimidine
2,4-DICHLORO-7H-PYRROLO-2,3-DPYRIMIDINE
2,4-DICHLORO-7H-PYRROLO2,3-DPYRIMIDINE
2-Chloro-6-methylpyrimidin-4yl-amine
4,6-DICHLORO PURINE
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-
1H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro- (9CI)
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (ACI)
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

MDL Number

MFCD08059278

Customs Code

2933990090

FAQ

What is 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4)?

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) is a heterocyclic organic compound with the chemical formula C5H3Cl2N3. It is a white crystalline solid characterized by its chlorinated pyrrolopyrimidine ring structure. This compound exhibits moderate solubility in polar solvents and is commonly used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4)?

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) is primarily used in pharmaceutical research as a key intermediate in the development of antiviral and antitumor drugs. It also finds applications in agrochemicals, dye synthesis, and organic chemistry for creating derivatives with tailored properties. Its chlorinated ring system makes it valuable for modifying biological activity in various compounds.

Is 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) safe?

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) requires careful handling due to potential toxicity. While it is not classified as highly hazardous, prolonged exposure may cause skin or respiratory irritation. Safety measures include wearing gloves, goggles, and a lab coat, and working in a well-ventilated area. Always adhere to OSHA and EPA guidelines for chemical safety when handling this compound.

How should 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) be stored?

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine (CAS: 90213-66-4) should be stored in a cool, dry place, away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage conditions should maintain temperatures below 25°C and humidity levels below 60% to ensure stability. Avoid exposure to air and incompatible materials to maintain chemical integrity.