4-(1,3,4-Oxadiazol-2-yl)phenol

4-(1,3,4-OXADIAZOL-2-YL)PHENOL · Phenol, 4-(1,3,4-oxadiazol-2-yl)- · 4-(1,3,4-OXADIAZOL-2-YL)PHENOL, 95+% · 4-(1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE) · 4-(3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,5-dien-1-one

https://huagongshe.com/de/chemical/714770

Molekülstruktur von 4-(1,3,4-Oxadiazol-2-yl)phenol

Identifikatoren & physikalische Daten

CAS No.	5378-27-8
Summenformel	C8H6N2O2
Durchschnittliche Molmasse	162,15 g/mol
SMILES	Oc1ccc(-c2nnco2)cc1
InChIKey	WENOJMGPELLGMA-UHFFFAOYSA-N
PubChem CID	714770
EC No.	892-090-0
DTXSID	DTXSID40419854

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	59,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	146
Schmelzpunkt	127-129 °C(Solvent: Acetone)
Siedepunkt	331.236±44.00 °C(Press: 760.00 Torr)(predicted)
Dichte	1.325±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Lagerbedingungen	-20°C Freezer
Löslichkeit	Chloroform, Methanol
Aggregatzustand	Solid
pKa (Säurekonstante)	8.160±0.15(predicted)
Farbe	Yellow

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2934999090

Anwendungen & Verwendung

Verwenden

4-(1,3,4-Oxadiazol-2-yl)phenol is an intermediate in the synthesis of potential class II human histone deacetylase inhibitors.