2-Methyl-4H-3,1-benzoxazin-4-on

Acetanthranil

HCID 68236CAS 525-76-8

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Grundinformationen

Standard-SMILES: Cc1nc2ccccc2c(=O)o1
InChIKey: WMQSKECCMQRJRX-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767846

Namen und Bezeichner

Bevorzugter Name: Acetanthranil
IUPAC: 2-methyl-3,1-benzoxazin-4-one
Lokaler Name: 2-Methyl-4H-3,1-benzoxazin-4-on
Englischer Name: 2-Methyl-4H-3,1-benzoxazin-4-one
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

525-76-82-Methyl-4H-3,1-benzoxazin-4-oneAcetanthranil4H-3,1-Benzoxazin-4-one, 2-methyl-2-Methyl-4-oxo-4H-3,1-benzoxazineDTXSID0049313Y938TMX1D8EINECS 208-381-7NSC 10119NSC-10119NSC-521353DTXCID5029269

Weitere Namen anzeigen

NSC 521353AURORA KA-3785AcetylanthranylACETYL ANTHRANILTIMTEC-BB SBB000135

RefChem:551865208-381-7ACETYLANTHRANIL2-Methyl-4H-benzo[d][1,3]oxazin-4-one2-Methyl-3,1-benzoxaza-4-one2-methyl-3,1-benzoxazin-4-oneMFCD00047647NSC10119

Datenbank-Bezeichner

CAS: 525-76-8
PubChem CID: 68236
DTXSID: DTXSID0049313
ChEMBL: CHEMBL343202
UNII: Y938TMX1D8
EC Number: 208-381-7
Nikkaji: J11.720J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Schmelzpunkt: 79 · 79-82 °C(lit.)
Siedepunkt: 144 · 144-145 °C(Press: 12 Torr)
Dichte: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.84 · 2.84±0.20(Predicted)
InChI: InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChIKey: WMQSKECCMQRJRX-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2C(=O)OC=1C
EPA chemische Informationen: 4 H-3,1-Benzoxazin-4-one, · 4H-3,1-Benzoxazin-4-one, 2-methyl- (525-76-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information4H-3,1-Benzoxazin-4-one, 2-methyl-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Methyl-4H-3,1-benzoxazin-4-one is a synthetic antimicrobial agent. It belongs to the quinazolinone class of drugs. It has been shown to be effective against Staphylococcus aureus and other bacteria. Quinazolinones are potent inhibitors of bacterial growth and have been used successfully in the treatment of tuberculosis and other infectious diseases. 2-Methyl-4H-3,1-benzoxazin-4-one has also been shown to inhibit the growth of some Gram-negative bacteria, such as Salmonella typhi and Escherichia coli.