CAS 75680-93-2 Ethyl 6-chloro-(1,2,4)triazolo(4,3-b)pyridazine-3-carboxylate (HCID 11287584)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 75680-93-2
Standard-SMILES: CCOC(=O)c1nnc2ccc(Cl)nn12
InChIKey: ZDUBOXQUQKOFHJ-UHFFFAOYSA-N
Summenformel: C8H7ClN4O2
Durchschnittliche Molmasse: 226,62 g/mol
Monoisotopische Masse: 226,02575314

Namen und Bezeichner

Bevorzugter Name: Ethyl 6-chloro-(1,2,4)triazolo(4,3-b)pyridazine-3-carboxylate
IUPAC: ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
Englischer Name: Ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
Summenformel: C8H7ClN4O2
Molmasse: 226.62

Namen und Synonyme

ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate1,2,4-Triazolo[4,3-b]pyridazine-3-carboxylic acid, 6-chloro-, ethyl esterEthyl 6-chloro-(1,2,4)triazolo(4,3-b)pyridazine-3-carboxylate1,2,4-Triazolo(4,3-b)pyridazine-3-carboxylic acid, 6-chloro-, ethyl esterRefChem:595934835-689-475680-93-2MFCD11868226ETHYL 6-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDAZINE-3-CARBOXYLATESCHEMBL1775497ethyl 6-chloro[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylateSTK928183

Weitere Namen anzeigen

Ethyl 6-chloro-[13-b]pyridazine-3-carboxylate6-chloro-[1,2,4]triazolebenzo[4,3-b]azine-3-carboxylic acidethyl ester

AKOS004912451PB38378AS-33778EN300-419706-chloro-1,2,4-triazolo[4,3-b]pyridazine-3-carboxylic acid ethyl esterethyl6-chloro-[1,2,4DTXSID60461274ZDUBOXQUQKOFHJ-UHFFFAOYSA-N

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 69,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 168 °C · 168 °C
Dichte: 1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.98 · -2.98±0.30(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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.