6-Bromo-2(1H)-quinazolinone

Basic Information

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CAS Number

79885-37-3

Molecular Formula

C8H5BrN2O

Molecular Weight

225.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.82

SMILES

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

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-4H,(H,10,11,12)

InChIKey

HNUYWQSBQPNNOB-UHFFFAOYSA-N

LogP

1.6855999999999998

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

229

Synonyms & References

English

FT-0649594
6-BROMO-2(1H)-QUINAZOLINONE
DTXSID20591581
6-bromo-1H-quinazolin-2-one
SB11740
J-518312
AKOS015903870
2(1H)-Quinazolinone, 6-bromo-
A19189
CS-0044439
SY047984
AS-42359
SCHEMBL9490397
79885-37-3
6-bromoquinazolinone
AKOS025149679
HNUYWQSBQPNNOB-UHFFFAOYSA-N
6-Bromo-2-hydroxyquinazoline
6-bromoquinazolin-2-ol
MFCD09999188
6-bromo-1,2-dihydroquinazolin-2-one
A839777
6-bromoquinazolin-2(1H)-one
6-bromanyl-1H-quinazolin-2-one
SCHEMBL1570979
AMY16698
6-Bromo-2(1H)-quinazolinone
6-Bromoquinazolin-2(1H)-one
6-bromo-2-hydroxyquinazoline
2476AC
RP27563

MDL Number

MFCD09999188

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Bromo-2(1H)-quinazolinone (CAS: 79885-37-3)?

6-Bromo-2(1H)-quinazolinone is a crystalline solid with a molecular weight of approximately 220.03 g/mol. It has a high solubility in organic solvents like methanol and ethanol. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents. It exhibits excellent stability under normal storage conditions but should be handled with care due to its potential to react with strong bases.

How is 6-Bromo-2(1H)-quinazolinone (CAS: 79885-37-3) typically synthesized?

6-Bromo-2(1H)-quinazolinone is typically synthesized through the bromination of 2(1H)-quinazolinone. This process involves the reaction of 2(1H)-quinazolinone with bromine in the presence of a base such as sodium hydroxide. The yield can be improved using appropriate catalysts and optimizing reaction conditions. The reaction is selective and yields a pure product with good efficiency.

What industries use 6-Bromo-2(1H)-quinazolinone (CAS: 79885-37-3)?

6-Bromo-2(1H)-quinazolinone finds applications in various industries, including pharmaceuticals, where it serves as an intermediate for drug synthesis. It is also used in the development of polymer additives, sensors, and semiconductors. Its unique properties make it valuable in materials science for its potential in functional materials and advanced applications.

What precautions should be taken when handling 6-Bromo-2(1H)-quinazolinone (CAS: 79885-37-3)?

When handling 6-Bromo-2(1H)-quinazolinone (CAS: 79885-37-3), it is essential to use appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be handled in a well-ventilated area with the use of appropriate containment equipment, and spills should be cleaned up immediately following the manufacturer’s safety guidelines and emergency procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.