2,4-Dibromoquinazoline

Basic Information

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CAS Number

872998-61-3

Molecular Formula

C8H4Br2N2

Molecular Weight

287.94 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

Boiling Point

406.6°C at 760 mmHg

Density

2.023

Flash Point

199.695°C

Refractive Index

1.71

SMILES

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Brc1nc2ccccc2c(n1)Br

InChI

InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H

InChIKey

CDBAGRHVFMGOON-UHFFFAOYSA-N

LogP

3.1548000000000007

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

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

Synonyms & References

English

2,4-Dibromoquinazoline
Quinazoline,2,4-dibromo-
2,3-PYRIDINEDICARBOXIMIDE
2,4-Dibromo-Quinazoline
Quinazoline,2,4-dibromo
CDBAGRHVFMGOON-UHFFFAOYSA-N
FCH1395547
MB08185
AX8158266
W8956
ST24027298
2,4-Dibromoquinazoline (ACI)

MDL Number

MFCD09909697

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,4-Dibromoquinazoline (CAS: 872998-61-3)?

2,4-Dibromoquinazoline is a crystalline solid with a molecular weight of approximately 286.04 g/mol. It has poor water solubility but is soluble in common organic solvents such as dichloromethane and acetonitrile. Chemically, it is relatively unreactive but can undergo substitution reactions under certain conditions. Its high molecular weight and low solubility make it suitable for various applications in organic synthesis and materials science.

How is 2,4-Dibromoquinazoline (CAS: 872998-61-3) typically synthesized?

2,4-Dibromoquinazoline is typically synthesized via a multi-step process involving the bromination of quinazoline. The reaction is usually carried out under anhydrous conditions using reagents like N-bromosuccinimide (NBS) and a suitable catalyst such as azobisisobutyronitrile (AIBN). The yield is generally around 70-80%, and the method provides good selectivity for the desired brominated product.

What industries use 2,4-Dibromoquinazoline (CAS: 872998-61-3)?

2,4-Dibromoquinazoline (CAS: 872998-61-3) is used in a variety of industries, including pharmaceuticals, where it can serve as a precursor in the synthesis of novel drugs. It also finds applications in the development of sensors and semiconductors due to its unique electronic properties. Additionally, it is utilized in the production of advanced materials for various technological applications.

What precautions should be taken when handling 2,4-Dibromoquinazoline (CAS: 872998-61-3)?

When handling 2,4-Dibromoquinazoline (CAS: 872998-61-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Handling should be done with care due to its crystalline form and potential reactivity in certain conditions. Refer to the Safety Data Sheet (SDS) for detailed safety information.