6-Bromo-2,4-dichloroquinazoline

Basic Information

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CAS Number

102393-82-8

Molecular Formula

C8H3BrCl2N2

Molecular Weight

277.94 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

Physical State

White to Yellow Solid

Boiling Point

330.1°C at 760 mmHg

Water Solubility

Slightly soluble in water.

SMILES

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C1=CC2=C(C=C1Br)C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H

InChIKey

LBAYOWRVZAKPLS-UHFFFAOYSA-N

LogP

3.6991000000000014

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

193

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

FT-0648957
MFCD09744007
DTXSID10435768
BRD-K45021024-001-01-8
QUINAZOLINE, 6-BROMO-2,4-DICHLORO-
102393-82-8
CS-W001034
DS-10689
A800568
BCP23049
LBAYOWRVZAKPLS-UHFFFAOYSA-N
EN300-263805
AM20050457
PB28011
W-204454
6-bromo-2,4-dichloroquinazoline
AC-26856
SC3711
6-bromo-2,4-dichloro-quinazoline
2,4-DICHLORO-6-BROMOQUINAZOLINE
6-bromanyl-2,4-bis(chloranyl)quinazoline
SY006819
SCHEMBL182719
Z1269217489
A1808
AKOS015834511
6-Bromo-2,4-dichloroquinazoline
6-Bromo-2,4-dichloroquina...
2,4-Dichloro-6-broMoquinazoline
Quinazoline, 6-bromo-2,4-dichloro-
4-dichloroquinazoline

MDL Number

MFCD09744007

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8)?

6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8) is a crystalline solid with a molecular weight of approximately 356.02 g/mol. It is sparingly soluble in water but more soluble in organic solvents like dichloromethane and ethanol. Chemically, it is highly reactive, particularly towards nucleophiles and can undergo substitution reactions. It is an excellent candidate for medicinal chemistry due to its structural complexity and potential biological activity.

How is 6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8) typically synthesized?

6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8) is typically synthesized via a series of reactions including chlorination, bromination, and quinazoline formation. Common methods involve the use of chlorinating agents like thionyl chloride and brominating agents like bromine. The final step often involves coupling reactions, such as using the Wittig reaction or a Heck coupling, to introduce the bromine and chlorine substituents.

What industries use 6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8)?

6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8) finds application in pharmaceuticals, particularly in the development of potential anticancer agents. It is also used in polymer research for developing functional polymers and in the semiconductor industry for creating advanced electronic materials. Additionally, it can be utilized in sensor technology for its unique chemical and physical properties.

What precautions should be taken when handling 6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8)?

When handling 6-Bromo-2,4-dichloroquinazoline (CAS: 102393-82-8), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.