4-Bromopyridazine-3,6-diol

HCID 254942CAS 15456-86-7

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Grundinformationen

Standard-SMILES: O=c1cc(Br)c(=O)[nH][nH]1
InChIKey: BMASTHFFAMGJKZ-UHFFFAOYSA-N
Summenformel: C4H3BrN2O2
Durchschnittliche Molmasse: 190,98 g/mol
Monoisotopische Masse: 189,93778944

Namen und Bezeichner

Bevorzugter Name: 4-Bromopyridazine-3,6-diol
IUPAC: 4-bromo-1,2-dihydropyridazine-3,6-dione
Englischer Name: Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro-
Summenformel: C4H3BrN2O2
Molmasse: 190.98

Namen und Synonyme

4-bromopyridazine-3,6-diolRefChem:520552973-687-615456-86-74-bromo-1,2-dihydropyridazine-3,6-dione4-Bromo-6-hydroxypyridazin-3(2H)-one4-Bromo-3-hydroxy-6-pyridazinone43068-41-31822714-67-9Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro-MFCD010779354-Bromo-3,6-pyridazinediol

Weitere Namen anzeigen

4-Bromo-6-Hydroxy-3(2H)-Pyridazinone3(2H)-Pyridazinone, 4-bromo-6-hydroxy-Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro- ISO 9001：2015 REACH

4-bromo-6-hydroxy-2,3-dihydropyridazin-3-one5-Bromo-6-hydroxypyridazin-3(2H)-one3,6-Pyridazinedione, 4-bromo-1,2-dihydro-NSC79701MFCD138747145-bromo-6-hydroxy-2,3-dihydropyridazin-3-one4-bromopyridazin-3,6-diolNCIOpen2_000670

Datenbank-Bezeichner

CAS: 15456-86-7
PubChem CID: 254942
DTXSID: DTXSID80292027
EC Number: 973-687-6
Nikkaji: J2.344.894G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 199

Physikochemische Eigenschaften

Dichte: 1.965 · 1.965±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7 · 7+-.0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.