Grundinformationen
- CAS
491-36-1- Standard-SMILES
O=c1[nH]cnc2ccccc12- InChIKey
QMNUDYFKZYBWQX-UHFFFAOYSA-N- Summenformel
- C8H6N2O
- Durchschnittliche Molmasse
- 146,15 g/mol
- Monoisotopische Masse
- 146,04801282
Namen und Bezeichner
- Bevorzugter Name
- 4(1H)-Quinazolinone
- IUPAC
- 3H-quinazolin-4-one
- Lokaler Name
- Chinazolin-4(1H)-on
- Englischer Name
- 4-Hydroxyquinazoline
- Summenformel
- C8H6N2O
- Molmasse
- 146.15
Namen und Synonyme
4-Hydroxyquinazoline491-36-14(3H)-Quinazolinone4-Quinazolone4(1H)-Quinazolinone3H-Quinazolin-4-onequinazolin-4-oneDTXSID804941284JOT4EY5XDTXCID7029372RefChem:524083quinazolin-4(3H)-one
Weitere Namen anzeigen
QUINAZOLINONEquinazolin-4(1H)-oneQUINAZOLONEβ-Nitropropionic acidAKOS 219-06
Quinazolin-4-ol4-Quinazolinol4-Quinazolinone3,4-Dihydroquinazolin-4-one4-Oxoquinazoline4-HQN1H-quinazolin-4-one4(3H)-Quinazolone
Datenbank-Bezeichner
- CAS
491-36-1- PubChem CID
- 135408753
- DTXSID
DTXSID8049412- ChEMBL
CHEMBL266540- ChEBI
CHEBI:113558- UNII
- 84JOT4EY5X
- EC Number
- 207-735-8
- Nikkaji
- J73.026B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 41,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 200
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index1733；1733
Physikochemische Eigenschaften
- Schmelzpunkt
- 216 · 216-219 °C (lit.)
- Siedepunkt
- 265.75 °C · 265.75°C (rough estimate)
- Dichte
- 1.2312 · 1.2312 (rough estimate)
- Dampfdruck
- 0.015 Pa · 0.015Pa at 20℃
- Brechungsindex
- 1.49 · 1.4900 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO (up to 14 mg/ml) or in Water (up to 1 mg/ml).
- Aggregatzustand
- Crystalline Powder
- pka
- 2.69 · 2.69±0.20(Predicted)
- Farbe
- Off-white to light beige
- Wasserlöslichkeit
- Soluble in DMSO (100 mM), ethanol, methanol, and water (10 mM).
- BRN
- 118473 · 118473
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.3%): 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 54 reports by companies from 6 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.
Gefahrenhinweise
Regulatory Information
Status: No longer Valid Update: 05-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25893
4-Hydroxyquinazoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.3%)
Regulatorische Informationen
Regulatory Information
Status: No longer Valid Update: 05-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25893
4-Hydroxyquinazoline: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Anwendungen
Verwenden4-Hydroxyquinazoline shows anti-microbial and anti-carcinogenic activity as seen in studies due to the quinazoline moiety.
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