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

Basic Information

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CAS Number

63200-54-4

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

SMILES

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C1=CNC2=C1N=C(N=C2Cl)Cl

InChI

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

InChIKey

MVTLFDKTYGKJEX-UHFFFAOYSA-N

LogP

2.2647000000000004

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

155

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DYXMNZRXOLJCKW-UHFFFAOYSA-N
EN300-84002
DTXSID20418749
CS-W003450
2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine #
Z1198175555
AKOS027441136
2,4-Dichloro-1H-pyrrolo[3,2-d]pyrimidine
A26244
CHEMBL3236416
AM20100562
PB34250
BB 0260793
O10588
CS-0527262
2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine
1310680-17-1
5H-PYRROLO[3,2-D]PYRIMIDINE, 2,4-DICHLORO-
GS-6603
2,4-bis(chloranyl)-5H-pyrrolo[3,2-d]pyrimidine
SY003513
SCHEMBL1021282
AKOS006282969
BCP13922
BP-11342
W-203350
63200-54-4
2,4-Dichloro-3H-pyrrolo[3,2-d]pyrimidine
2,4-Dichloropyrrolo[3,2-d]pyrimidine
FT-0647874
A834265

MDL Number

MFCD08059281

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 63200-54-4)?

2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine is a solid with a crystalline form. Its molecular weight is approximately 237.03 g/mol. It is somewhat soluble in common organic solvents like ethanol and acetone but practically insoluble in water. It exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal laboratory conditions but should be stored in a cool, dry place away from moisture and direct sunlight.

How is 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 63200-54-4) typically synthesized?

2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine is typically synthesized via a multi-step process involving the condensation of 2-chloropyrimidine with a substituted pyrrole. The synthesis involves the use of mild acidic conditions and a suitable catalyst. The yield is generally around 70-80%, and the reaction is selective towards the formation of the desired product.

What industries use 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 63200-54-4)?

2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the polymer industry for the development of functional polymers and in the semiconductor industry for the fabrication of electronic materials. Additionally, it finds applications in the production of sensors and in agricultural chemicals.

What precautions should be taken when handling 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine (CAS: 63200-54-4)?

When handling 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.