3,4-Dihydro-6-hydroxy-4-oxoquinazoline

HCID 135489577

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Grundinformationen

CAS: 16064-10-1
Standard-SMILES: O=c1[nH]cnc2ccc(O)cc12
InChIKey: QJRNXXLTDWMENM-UHFFFAOYSA-N
Summenformel: C8H6N2O2
Durchschnittliche Molmasse: 162,15 g/mol
Monoisotopische Masse: 162,04292744

Namen und Bezeichner

Bevorzugter Name: 3,4-Dihydro-6-hydroxy-4-oxoquinazoline
IUPAC: 6-hydroxy-3H-quinazolin-4-one
Englischer Name: 6-Hydroxy-3,4-dihydroquinazolone
Summenformel: C8H6N2O2
Molmasse: 162.15

Namen und Synonyme

3,4-Dihydro-6-hydroxy-4-oxoquinazoline6-Hydroxy-4(3H)-quinazolinone4(3H)-Quinazolinone, 6-hydroxy-Hydroxy-6 (3H) quinazolinoneHydroxy-6 (3H) quinazolinone [French]RefChem:486191848-599-516064-10-16-Hydroxyquinazolin-4(3H)-one6-Hydroxyquinazolin-4(1H)-one6-Hydroxy-4-quinazolone6-hydroxy-3H-quinazolin-4-one

Weitere Namen anzeigen

6-hydroxyquinazolin-4-ol6-hydroxy-4-quinazolinone6-Hydroxyquinazolin-4(3H)-one98%6-Hydroxy-3,4-dihydroquinazolone6-Hydroxyquinazolin-4(3H)-one 98%6-Hydroxyquinazolin-4(3H)-one 97.5%

Quinazoline-4,6-diolMFCD008048416-HYDROXY-3,4-DIHYDROQUINAZOLIN-4-ONECHEMBL19498466-hydroxy-1H-quinazolin-4-one3,4-Dihydro-6-hydroxyquinazolin-4-one4,6-Quinazolinediol6-Hydroxy-4-chinazolon

Datenbank-Bezeichner

CAS: 16064-10-1
PubChem CID: 135489577
DTXSID: DTXSID80388732
ChEMBL: CHEMBL1949846
EC Number: 848-599-5
Nikkaji: J1.724.066H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 61,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C
Siedepunkt: 416 · 416.0±47.0 °C(Predicted)
Dichte: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: solid
pka: 9.37 · 9.37±0.20(Predicted)
Farbe: Brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.