CAS 5788-58-9 4,5-Dibromo-2,3-dihydropyridazin-3-one (HCID 236181)

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Grundinformationen

CAS: 5788-58-9
Standard-SMILES: O=c1[nH]ncc(Br)c1Br
InChIKey: AGLQURQNVJVJNB-UHFFFAOYSA-N
Summenformel: C4H2Br2N2O
Durchschnittliche Molmasse: 253,88 g/mol
Monoisotopische Masse: 251,85338688

Namen und Bezeichner

Bevorzugter Name: 4,5-Dibromo-2,3-dihydropyridazin-3-one
IUPAC: 4,5-dibromo-1H-pyridazin-6-one
Englischer Name: 4,5-Dibromopyridazin-3-one
Summenformel: C4H2Br2N2O
Molmasse: 253.88

Namen und Synonyme

4,5-dibromo-2,3-dihydropyridazin-3-oneRefChem:507619654-941-24,5-dibromopyridazin-3(2h)-one5788-58-94,5-Dibromo-3(2H)-pyridazinone4,5-Dibromopyridazin-3-one4,5-dibromo-1H-pyridazin-6-oneMFCD000236414,5-Dibromopyridazin-3-ol4,5-Dibromopyridazin-3[2H]-one4,5-dibromopyridazinone

Weitere Namen anzeigen

4,5-Dibromo-3-pyridazone4,5-Dibromoyridazin-3-one4,5-DIBROMO-2-METHYLPYRIDA4,5-Dibromo-3[2H]-pyridazone4,5-Dibromo-3(2H)-pyridazinon4,5-DIBROMO-2H-PYRIDAZIN-3-ONE

NSC38292SCHEMBL709632NSC-38292STL573304AKOS001379670CS-W010192SY0239864,5-dibromo-2-hydropyridazin-3-one

Datenbank-Bezeichner

CAS: 5788-58-9
PubChem CID: 236181
DTXSID: DTXSID60284682
EC Number: 654-941-2
Nikkaji: J364.681E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 209

Physikochemische Eigenschaften

Schmelzpunkt: 231 · 231-233°C
Dichte: 2.53 · 2.53±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.39 · 8.39±0.60(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 121469 · 121469
InChI: InChI=1S/C4H2Br2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)
InChIKey: AGLQURQNVJVJNB-UHFFFAOYSA-N
SMILES: C1(=O)NN=CC(Br)=C1Br
CAS Datenbank: 5788 · 5788-58-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4,5-Dibromo-3(2h)-pyridazinone(5788-58-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (82.6%)

Sicherheitsdaten

hs_code: 2933998090
risk_code: 36/37/38
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4,5-Dibromo-3(2H)-pyridazinone is used as an intermediate in the manufacture of pharmaceuticals. It is widely used in chemical research and in fine chemicals.