6-(4-Bromophenyl)-2,3-dihydropyridazin-3-one

HCID 689073CAS 50636-57-2

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Grundinformationen

Standard-SMILES: O=c1ccc(-c2ccc(Br)cc2)n[nH]1
InChIKey: SXDHLGDAZQDUBI-UHFFFAOYSA-N
Summenformel: C10H7BrN2O
Durchschnittliche Molmasse: 251,08 g/mol
Monoisotopische Masse: 249,97418

Namen und Bezeichner

Bevorzugter Name: 6-(4-Bromophenyl)-2,3-dihydropyridazin-3-one
IUPAC: 3-(4-bromophenyl)-1H-pyridazin-6-one
Englischer Name: 6(4-Bromophenyl)-3(2H)pyridazinone
Summenformel: C10H7BrN2O
Molmasse: 251.08

Namen und Synonyme

6-(4-bromophenyl)-2,3-dihydropyridazin-3-oneRefChem:539379886-989-750636-57-26-(4-bromophenyl)pyridazin-3-ol6-(4-bromophenyl)pyridazin-3(2H)-one3-(4-bromophenyl)-1H-pyridazin-6-oneMFCD002034886(4-BROMOPHENYL)-3(2H)PYRIDAZINONE3(2H)-Pyridazinone, 6-(4-bromophenyl)-6-(4-bromophenyl)-2-hydropyridazin-3-one6-(4-Bromophenyl)-2H-pyridazin-3-one

Weitere Namen anzeigen

3(2H)-Pyridazinone,6-(4-bromophenyl)-6-(4-bromophenyl)-3(2H)-pyridazin-3-oneSCHEMBL928226F1967-0282DTXSID90351033ALBB-028394MFCD16652666SBB019417

Datenbank-Bezeichner

CAS: 50636-57-2
PubChem CID: 689073
DTXSID: DTXSID90351033
EC Number: 886-989-7
Nikkaji: J685.150I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 290

Physikochemische Eigenschaften

Schmelzpunkt: 247 · 247-250°C
storage temp.: -20 °C, · -20°C, stored under nitrogen, away from moisture

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 1 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.