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

HCID 313624

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Basic information

CAS: 28593-24-0
Standard SMILES: Clc1ccc2nncn2n1
InChIKey: OUNXXBYNOUBNPF-UHFFFAOYSA-N
Molecular formula: C5H3ClN4
Average molar mass: 154.56 g/mol
Monoisotopic mass: 154.00462378

Names & identifiers

Preferred name: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
English name: 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine
Molecular formula: C5H3ClN4
Molecular weight: 154.56

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 131

Physicochemical properties

Melting point: 203 · 203-204 °C
Density: 1.71 · 1.71±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: -0.73 · -0.73±0.30(Predicted)
Appearance: Light brown to brown Solid
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 DataBase Reference: 28593 · 28593-24-0(CAS DataBase Reference)
FDA UNII: 5 NK55VZ7 · ED5NK55VZ7
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

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.