6-Chloro-(1,2,4)triazolo(1,5-b)pyridazine

HCID 11240611CAS 42399-79-1

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc2ncnn2n1
InChIKey: AKAGLBBCCXXHAA-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(1,5-b)pyridazine
IUPAC: 6-chloro-[1,2,4]triazolo[1,5-b]pyridazine
English name: 6-CHLORO[1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE
Molecular formula: C5H3ClN4
Molecular weight: 154.56

Names & synonyms

6-chloro-[1,2,4]triazolo[1,5-b]pyridazine6-Chloro-(1,2,4)triazolo(1,5-b)pyridazineRefChem:541336886-408-742399-79-16-Chloro[1,2,4]triazolo[1,5-b]pyridazine[1,2,4]Triazolo[1,5-b]pyridazine, 6-chloro-MFCD11044768SCHEMBL434468DTXSID90459720AKAGLBBCCXXHAA-UHFFFAOYSA-NAKOS006309967

Show more names

DB-3593266-chloro[1.2.4]triazolo[1,5-b]pyridazineCS-04524366-chloro[1,2,4]triazolo [1,5-b]pyridazine6-chloro[1,2,4]triazolo[1,5-b ]pyridazineF80261EN300-7635120F773804

Database identifiers

CAS: 42399-79-1
PubChem CID: 11240611
DTXSID: DTXSID90459720
EC Number: 886-408-7
Nikkaji: J380.902A

Properties

Computed structural properties

XLogP: 1.3
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: 144 · 144-145 °C
Density: 1.71 · 1.71±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
pka: 0.52 · 0.52±0.30(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501