6-Fluoro-4(1H)-quinazolinone

Basic Information

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CAS Number

16499-56-2

Molecular Formula

C8H5FN2O

Molecular Weight

164.14 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

Boiling Point

318.3°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)

InChIKey

WCSMZAHKVXOYLH-UHFFFAOYSA-N

LogP

1.0622

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

229

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4(1H)-Quinazolinone, 6-fluoro-
CS-B1139
CHEMBL1949843
BDBM50365137
FT-0682242
6-Fluoro-3H-quinazolin-4-one
16499-56-2
SY043286
FS-3764
6-Fluoroquinazolin-4-one
6-fluoro-1H-quinazolin-4-one
6-Fluoro-4-hydroxyquinazoline
FS-2315
AKOS015856501
I12006
6-Fluoroquinazolin-4(3H)-one
6-fluoro-3H-quinazoline-4-one
6-FLUORO-3,4-DIHYDROQUINAZOLIN-4-ONE
AKOS006229543
DS-0225
Z728795402
MFCD05664873
DTXSID90444277
BCP26486
6-Fluoroquinazolin-4-one, AldrichCPR
A3664
C8H5FN2O
AKOS005146422
MFCD05662721
6-fluoroquinazolin-4(1H)-one
MFCD09954859

MDL Number

MFCD09954859

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2)?

6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous substance. It falls under the Chemicals Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the European Union. In the United States, it is categorized under the Toxic Substances Control Act (TSCA) and regulated by the Environmental Protection Agency (EPA). Specific handling, storage, and disposal requirements must be adhered to according to local and national regulations.

Are there alternatives to 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) in synthesis?

Several alternatives to 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) can be used in synthesis, depending on the desired properties and reaction conditions. Analogues such as 6-chloro-4(1H)-quinazolinone and isomers like 4(1H)-quinazolinone-6-ol are common. Other substitute reagents include 6-aminonicotinamide and 4,6-dichloroquinazoline, which can offer similar functional groups for substitution and modification.

What is the market or research trend for 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2)?

The market for 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) is driven by its applications in pharmaceuticals and agrochemicals. Recent research trends focus on its potential as an antiviral agent and herbicide. The compound is also being explored in academic research for its use in molecular biology and synthetic chemistry. Market demand is expected to grow with continued development of its biological activities and new synthetic routes.

How should waste containing 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) be handled?

Waste containing 6-Fluoro-4(1H)-quinazolinone (CAS: 16499-56-2) should be collected in appropriate containers, labeled as hazardous waste, and disposed of by a certified hazardous waste management company. Incineration is one method, provided it meets local emission standards. Alternatively, professional waste disposal services can handle the waste safely and ensure compliance with environmental regulations. Always follow local waste disposal guidelines and ensure proper protective measures during handling to prevent environmental contamination.