CAS 202197-73-7 4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid (HCID 135483588)

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Grundinformationen

CAS: 202197-73-7
Standard-SMILES: O=C(O)c1ccc2c(=O)[nH]cnc2c1
InChIKey: ICASWNVSUDFGRH-UHFFFAOYSA-N
Summenformel: C9H6N2O3
Durchschnittliche Molmasse: 190,16 g/mol
Monoisotopische Masse: 190,03784205

Namen und Bezeichner

Bevorzugter Name: 4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid
IUPAC: 4-oxo-3H-quinazoline-7-carboxylic acid
Englischer Name: 3,4-Dihydro-4-oxoquinazoline-7-carboxylic acid
Summenformel: C9H6N2O3
Molmasse: 190.16

Namen und Synonyme

202197-73-74-Oxo-3,4-dihydroquinazoline-7-carboxylic acidDTXSID00401290RefChem:100258DTXCID30352145845-900-1ICASWNVSUDFGRH-UHFFFAOYSA-N3,4-Dihydro-4-oxoquinazoline-7-carboxylic acid4-OXO-3H-QUINAZOLINE-7-CARBOXYLIC ACIDMFCD039423314-oxo-1H-quinazoline-7-carboxylic acid3,4-DEHYDRO-4-OXO-7-QUINZOLINECARBOXYLIC ACID

Weitere Namen anzeigen

7-CARBOXY-4-QUINAZOLONE3,4-Dihydro-4-oxo-7-quinazolinecarboxylic acid4-Oxo-1,4-dihydro-quinazoline-7-carboxylic acid

MFCD119832444-oxo-3,4-dihydro-7-quinazolinecarboxylic acid7-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-3,4-Dihydro-4-oxo-7-quinzolinecarboxylic acid4-oxo-3-hydroquinazoline-7-carboxylic acid4-oxo-1,4-dihydroquinazoline-7-carboxylic acid7-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-4-ox

Datenbank-Bezeichner

CAS: 202197-73-7
PubChem CID: 135483588
DTXSID: DTXSID00401290
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 78,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 300

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C
Siedepunkt: 449.2 · 449.2±47.0 °C(Predicted)
Dichte: 1.56 · 1.56±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly, Heated), Water (Slightly)
Aggregatzustand: Solid
pka: 3.74 · 3.74±0.20(Predicted)
Farbe: White to Off-White

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.