5-bromoquinazolin-4-ol

Basic Information

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CAS Number

147006-47-1

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

Boiling Point

430.2°C at 760 mmHg

SMILES

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

InChI

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

InChIKey

QGHJLGZHULRQAJ-UHFFFAOYSA-N

LogP

1.6855999999999993

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

229

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

AKOS015909391
SCHEMBL17827792
5-BROMOQUINAZOLIN-4-OL
CS-W001226
5-BROMOQUINAZOLIN-4(3H)-ONE
5-bromanyl-1H-quinazolin-4-one
5-Bromoquinazolin-4(1H)-one
147006-47-1
5-bromo-3,4-dihydroquinazolin-4-one
MFCD09954863
J-517208
MFCD11559036
4(3H)-Quinazolinone,5-bromo-
SY027345
G11588
AKOS015835556
FS-3339
5-Bromo-4(3H)-quinazolinone
AKOS028109940
5-bromo-3H-quinazolin-4-one
4(1H)-Quinazolinone, 5-bromo-
QGHJLGZHULRQAJ-UHFFFAOYSA-N
DTXSID80602324
AMY4307
A808582
SCHEMBL9261629
5-bromo-1H-quinazolin-4-one
EN300-125580
5-Bromoquinazolin-4-ol
4(3H)-Quinazolinone, 5-bromo-
5-BroMoquinazolin-4(3h)-one

MDL Number

MFCD11559036

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-bromoquinazolin-4-ol (CAS: 147006-47-1)?

5-Bromoquinazolin-4-ol (CAS: 147006-47-1) is a white to off-white crystalline solid with a molecular weight of approximately 253.03 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and dimethyl sulfoxide. Chemically, it is relatively stable but can react with strong bases to form deprotonated species. It is used in organic synthesis and pharmaceutical research.

How is 5-bromoquinazolin-4-ol (CAS: 147006-47-1) typically synthesized?

5-Bromoquinazolin-4-ol (CAS: 147006-47-1) can be synthesized via a bromination reaction of quinazolin-4(3H)-one using N-bromosuccinimide (NBS) as the brominating agent in the presence of a radical initiator like azobisisobutyronitrile (AIBN). The reaction is typically carried out in an aqueous-organic solvent mixture, achieving a yield of up to 90%.

What industries use 5-bromoquinazolin-4-ol (CAS: 147006-47-1)?

5-Bromoquinazolin-4-ol (CAS: 147006-47-1) is primarily used in the pharmaceutical industry for the development of novel drugs. It is also utilized in polymer chemistry for the synthesis of functional polymers with specific properties. Additionally, it has applications in the production of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 5-bromoquinazolin-4-ol (CAS: 147006-47-1)?

When handling 5-bromoquinazolin-4-ol (CAS: 147006-47-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure to vapors. In case of a spill, it should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.