6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one

HCID 689108CAS 36725-37-8

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Grundinformationen

Standard-SMILES: O=C1CCC(c2ccc(Br)cc2)=NN1
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
Summenformel: C10H9BrN2O
Durchschnittliche Molmasse: 253,09 g/mol
Monoisotopische Masse: 251,98982501

Namen und Bezeichner

Bevorzugter Name: 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
IUPAC: 3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-one
Englischer Name: 6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&
Summenformel: C10H9BrN2O
Molmasse: 253.1

Namen und Synonyme

36725-37-86-(4-bromophenyl)-4,5-dihydropyridazin-3(2h)-oneDTXSID70351051RefChem:1073694DTXCID603021186-(4-Bromophenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-bromophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002034906-(4-Bromophenyl)-4,5-dihydro-3(2H)-pyridazinone6-(4-Bromo-phenyl)-4,5-dihydro-2H-pyridazin-3-one6-(4-bromophenyl)-2,4,5-trihydropyridazin-3-one

Weitere Namen anzeigen

6-(4-Bromophenyl)-4 5-dihydro-2H-pyrida&3(2H)-Pyridazinone, 6-(4-bromophenyl)-4,5-dihydro-JRH-07004, 6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

SCHEMBL927560CDDNLMGOLYMTSF-UHFFFAOYSA-NHMS1661D11HMS3446O12LBA72537SBB079238AKOS001370002CCG-139876

Datenbank-Bezeichner

CAS: 36725-37-8
PubChem CID: 689108
DTXSID: DTXSID70351051
EC Number: 670-512-2
Nikkaji: J1.842.170D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 257

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-171 °C(lit.)
InChI: 1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: CDDNLMGOLYMTSF-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)C2=NNC(=O)CC2

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.