CAS 491-36-1|4-Quinazolinone

Introduction：Basic information about CAS 491-36-1|4-Quinazolinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 4-Quinazolinone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	4-Quinazolinone
CAS Number	491-36-1	Molecular Weight	146.146
Density	1.3±0.1 g/cm3	Boiling Point	324.8±15.0 °C at 760 mmHg
Molecular Formula	C₈H₆N₂O	Melting Point	216-219 °C(lit.)
MSDS	/	Flash Point	150.2±20.4 °C

Names

Name	4-Hydroxyquinazoline
Synonym	More Synonyms

4-Quinazolinone BiologicalActivity

Description	4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].
Related Catalog	Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>CancerResearch Areas >>EndocrinologyResearch Areas >>Inflammation/ImmunologyResearch Areas >>InfectionResearch Areas >>Metabolic DiseaseResearch Areas >>Neurological Disease
References	[1]. Jafari E, et al. Quinazolinone and quinazoline derivatives: recent structures with potent antimicrobial and cytotoxic activities. Res Pharm Sci. 2016 Jan-Feb;11(1):1-14. [2]. Hameed A, et al. Quinazoline and quinazolinone as important medicinal scaffolds: a comparative patent review (2011-2016). Expert Opin Ther Pat. 2018 Apr;28(4):281-297.

Description

4(3H)-Quinazolinone is a building block in chemical synthesis. Biologically active nitrogen heterocyclic compounds. Possesses a wide spectrum of biological properties like antibacterial, antifungal, anticonvulsant, anti-inflammatory, anti-HIV, anticancerous and analgesic activities[1][2].

Related Catalog

Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>CancerResearch Areas >>EndocrinologyResearch Areas >>Inflammation/ImmunologyResearch Areas >>InfectionResearch Areas >>Metabolic DiseaseResearch Areas >>Neurological Disease

References

[1]. Jafari E, et al. Quinazolinone and quinazoline derivatives: recent structures with potent antimicrobial and cytotoxic activities. Res Pharm Sci. 2016 Jan-Feb;11(1):1-14.

[2]. Hameed A, et al. Quinazoline and quinazolinone as important medicinal scaffolds: a comparative patent review (2011-2016). Expert Opin Ther Pat. 2018 Apr;28(4):281-297.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	324.8±15.0 °C at 760 mmHg
Melting Point	216-219 °C(lit.)
Molecular Formula	C₈H₆N₂O
Molecular Weight	146.146
Flash Point	150.2±20.4 °C
Exact Mass	146.048019
PSA	45.75000
LogP	0.30
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.705
InChIKey	QMNUDYFKZYBWQX-UHFFFAOYSA-N
SMILES	O=c1[nH]cnc2ccccc12
Storage condition	Desiccate at RT

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VA2300000

CHEMICAL NAME :: 4(3H)-Quinazolinone

CAS REGISTRY NUMBER :: 491-36-1

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H6-N2-O

MOLECULAR WEIGHT :: 146.16

WISWESSER LINE NOTATION :: T66 BVM ENJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 609 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962

Safety Information

Hazard Codes	Xn:Harmful
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S37/39-S36/37/39-S22
WGK Germany	3
RTECS	VA2300000
HS Code	29335995

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

MFCD00511302

Quinazolone,4

3,4-Dihydro-4-oxoquinazoline

QUINAZOLONE

T66 BVN EMJ

QUINAZOLIN-4-OL

4-oxo-3,4-dihydroquinazoline

T66 BVM ENJ

4-QUINAZOLINO

4(3H)-Quinazolinone

3,4-dihydroquinazolin-4-one

quinazolin-4(3H)-one

3H-quinazolinyl-4-one

quinazoline-4(3H)-one

4-QUINAZOLONE

4-Quinazolinol

T66 BN DNJ EQ

EINECS 207-735-8

4-Hydroxyquinazoline

Quinazolin-4-one

4(1H)-Quinazolinone

QUINAZOLINONE

4-HQN

Recommended......