6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine

HCID 313624CAS 28593-24-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Clc1ccc2nncn2n1
InChIKey: OUNXXBYNOUBNPF-UHFFFAOYSA-N
Summenformel: C5H3ClN4
Durchschnittliche Molmasse: 154,56 g/mol
Monoisotopische Masse: 154,00462378

Namen und Bezeichner

Bevorzugter Name: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
Englischer Name: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
Summenformel: C5H3ClN4
Molmasse: 154.56

Namen und Synonyme

6-chloro-[1,2,4]triazolo[4,3-b]pyridazine6-chloro-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541341640-581-328593-24-06-chloro[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-1,2,4-triazolo[4,3-b]pyridazine1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-MFCD002190476-Chloro-s-triazolo[4,3-b]pyridazines-Triazolo[4,3-b]pyridazine, 6-chloro-MLS000871716

Weitere Namen anzeigen

AKOS BBS-000025476-Chloro[1,2,4]Triazolo[4,3-b]6-chloro-[1,2,4]triazolo[3,4-f]pyridazine6--1,2,4- three[4,3-B]chlorinepyrazolopyridazine6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE ISO 9001：2015 REACH1,2,4-Triazolo[4,3-b]pyridazine,6-chloro- (CAS No.28593-24-0)

NSC-228162SMR0003092356-chloro-4-hydro-1,2,4-triazolo[4,3-e]pyridazineED5NK55VZ7cid_313624SCHEMBL1426882CHEMBL1602999BDBM90515

Datenbank-Bezeichner

CAS: 28593-24-0
PubChem CID: 313624
DTXSID: DTXSID60310571
ChEMBL: CHEMBL1602999
UNII: ED5NK55VZ7
EC Number: 640-581-3
Nikkaji: J100.211B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-204 °C
Dichte: 1.71 · 1.71±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: -0.73 · -0.73±0.30(Predicted)
InChI: InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
InChIKey: OUNXXBYNOUBNPF-UHFFFAOYSA-N
SMILES: C12=NN=CN1N=C(Cl)C=C2
CAS Datenbank: 28593 · 28593-24-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.