2-Chloro-6-fluoro-4(1H)-quinazolinone

Basic Information

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CAS Number

769158-12-5

Molecular Formula

C8H4ClFN2O

Molecular Weight

198.58 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Density

1.61±0.1 g/cm3 (20 ºC 760 Torr)

SMILES

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C1=CC2=C(C=C1F)C(=O)NC(=N2)Cl

InChI

InChI=1S/C8H4ClFN2O/c9-8-11-6-2-1-4(10)3-5(6)7(13)12-8/h1-3H,(H,11,12,13)

InChIKey

CBHYEOLZQCLMSY-UHFFFAOYSA-N

LogP

1.7155999999999998

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

269

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-chloro-6-fluoroquinazolin-4(3H)-one
2-chloro-6-fluoro-3H-quinazolin-4-one
FT-0684313
MFCD11520685
2-Chloro-6-fluoroquinazolin-4(1H)-one
769158-12-5
C8H4ClFN2O
AS-30793
SCHEMBL578429
4(1H)-Quinazolinone, 2-chloro-6-fluoro- (9CI)
AMY36525
2-chloro-6-fluoroquinazolin- 4(3H)-one
EN300-645264
CS-0094664
2-CHLORO-6-FLUORO-1H-QUINAZOLIN-4-ONE
DTXSID60586537
AKOS006324513
2-chloro-6-fluoroquinazolin-4-ol
2-Chloro-6-fluoroquinazolin-4(3H)-one
2-chloro-6-fluoro-1H-quinazolin-4-one
2-chloro-6-fluoro-4(3H)-Quinazolinone
2-Chloro-6-fluoro-4(1H)-quinazolinone
2-chloro-6-fluoroquinazolin
AK102613
4(3H)-Quinazolinone, 2-chloro-6-fluoro-
2-chloro-6-fluoroquinazolin-
PubChem14301
AX8234152
AB0032898
X6335
A9744

MDL Number

MFCD11520685

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Chloro-6-fluoro-4(1H)-quinazolinone (CAS: 769158-12-5)?

2-Chloro-6-fluoro-4(1H)-quinazolinone is a crystalline solid with a molecular weight of approximately 237.04 g/mol. It has a low solubility in water but is soluble in polar organic solvents like DMSO and DMF. The compound is moderately reactive, showing some tendency to undergo substitution reactions. It decomposes above 200°C and is stable under normal laboratory conditions.

How is 2-Chloro-6-fluoro-4(1H)-quinazolinone (CAS: 769158-12-5) typically synthesized?

2-Chloro-6-fluoro-4(1H)-quinazolinone is typically synthesized via the condensation reaction of 6-fluoroquinazoline with thionyl chloride, followed by removal of the byproduct. This method provides good yield and selectivity. Alternatively, it can be prepared by the reaction of 6-fluoro-4-oxoquinazoline-3-carboxylic acid with chloroform followed by hydrolysis.

What industries use 2-Chloro-6-fluoro-4(1H)-quinazolinone (CAS: 769158-12-5)?

2-Chloro-6-fluoro-4(1H)-quinazolinone is primarily used in pharmaceutical research for its potential as an inhibitor of various enzymes. It also finds application in the development of novel materials, particularly in the field of sensors and semiconductors, due to its unique electronic properties.

What precautions should be taken when handling 2-Chloro-6-fluoro-4(1H)-quinazolinone (CAS: 769158-12-5)?

When handling 2-Chloro-6-fluoro-4(1H)-quinazolinone, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.