6-Phenylpyridazin-3(2H)-on

3-Phenyl-6-pyridazone

HCID 75106CAS 2166-31-6

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Grundinformationen

Standard-SMILES: O=c1ccc(-c2ccccc2)n[nH]1
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
Summenformel: C10H8N2O
Durchschnittliche Molmasse: 172,18 g/mol
Monoisotopische Masse: 172,06366288

Namen und Bezeichner

Bevorzugter Name: 3-Phenyl-6-pyridazone
IUPAC: 3-phenyl-1H-pyridazin-6-one
Lokaler Name: 6-Phenylpyridazin-3(2H)-on
Englischer Name: 6-Phenyl-3(2H)-pyridazinone
Summenformel: C10H8N2O
Molmasse: 172.18

Namen und Synonyme

6-Phenylpyridazin-3(2H)-one2166-31-66-Phenyl-3(2H)-pyridazinone6-Phenyl-2H-pyridazin-3-one3(2H)-Pyridazinone, 6-phenyl-3-Phenyl-6-pyridazone6-phenyl-3-pyridazinone4XCL934PMPNSC-13399DTXSID10176043NSC 13399RefChem:198392

Weitere Namen anzeigen

IFLAB-BB F0921-70143-Phenyl-6-pyridazinone6-Phenyl-3(2H)-pyridazinone>6-Phenyl-3(2H)-pyridazinone

DTXCID20985346-phenylpyridazin-3-ol3-phenyl-1H-pyridazin-6-one6-phenyl-2,3-dihydropyridazin-3-oneMFCD00114953NSC133993-Hydroxy-6-phenylpyridazineSCHEMBL482059

Datenbank-Bezeichner

CAS: 2166-31-6
PubChem CID: 75106
DTXSID: DTXSID10176043
ChEMBL: CHEMBL1536043
UNII: 4XCL934PMP
EC Number: 218-505-1
Nikkaji: J299.135G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 262

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-204 °C(lit.)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 11.05 · 11.05±0.40(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey: IJUIPRDMWWBTTQ-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(C2=CC=CC=C2)C=C1

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)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.