Fenadiazole

HCID 13883CAS 1008-65-7

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Grundinformationen

Standard-SMILES: Oc1ccccc1-c1nnco1
InChIKey: OINXXHYENYVYPB-UHFFFAOYSA-N
Summenformel: C8H6N2O2
Durchschnittliche Molmasse: 162,15 g/mol
Monoisotopische Masse: 162,04292744

Namen und Bezeichner

Bevorzugter Name: Fenadiazole
IUPAC: 2-(1,3,4-oxadiazol-2-yl)phenol
Englischer Name: 2-(1,3,4-Oxadiazol-2-yl)phenol
Summenformel: C8H6N2O2
Molmasse: 162.15

Namen und Synonyme

2-(1,3,4-Oxadiazol-2-yl)phenolFenadiazoleFenadiazolHypnazolEudormilViodorFenadiazolumJL 512o-1,3,4-Oxadiazol-2-ylphenolPHENOL, 2-(1,3,4-OXADIAZOL-2-YL)-Phenol, o-1,3,4-oxadiazol-2-yl-J. L. 512

Weitere Namen anzeigen

JL-512NSC100729NSC-100729Phenadiazole

Fenadiazole [INN:DCF]Fenadiazol [INN-Spanish]Fenadiazolum [INN-Latin]2-(o-Hydroxyphenyl)-1,3,4-oxadiazoleNSC 100729DTXSID7057608UNII-8YX6HIZ0IP8YX6HIZ0IP

Datenbank-Bezeichner

CAS: 1008-65-7
PubChem CID: 13883
DTXSID: DTXSID7057608
ChEMBL: CHEMBL1903897
ChEBI: CHEBI:134791
UNII: 8YX6HIZ0IP
EC Number: 680-965-8
Nikkaji: J7.218D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 59,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 100 °C · 100 °C
Siedepunkt: 0.1 · bp0.1 180°
Dichte: 1.324 · 1.324±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: 10 mg/mlEthanol: · DMSO: Soluble: = 10 mg/mlEthanol: Soluble: = 10 mg/ml
pka: 7.84 · 7.84±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 6 reports by companies from 3 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.