CAS 7197-01-5 6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine (HCID 911387)

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Basic information

CAS: 7197-01-5
Standard SMILES: Cc1nnc2ccc(Cl)nn12
InChIKey: NHLQOVMOYMLRHE-UHFFFAOYSA-N
Molecular formula: C6H5ClN4
Average molar mass: 168.58 g/mol
Monoisotopic mass: 168.02027384

Names & identifiers

Preferred name: 6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazine
IUPAC: 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
English name: 6-CHLORO-3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
Molecular formula: C6H5ClN4
Molecular weight: 168.58

Names & synonyms

6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-3-methyl-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541658812-052-96-chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine7197-01-5MFCD009751271,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-methyl-SCHEMBL1242674DTXSID20358717NHLQOVMOYMLRHE-UHFFFAOYSA-NHMS1625A08

Show more names

ALBB-013249AKOS BBS-00003074SBB040137STL137726AKOS000271675AB07876SY083485DB-029262

Database identifiers

CAS: 7197-01-5
PubChem CID: 911387
DTXSID: DTXSID20358717
EC Number: 812-052-9
Nikkaji: J1.521.652B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Physicochemical properties

Melting point: 104 · 104-105 °C
Density: 1.59 · 1.59±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.04 · 0.04±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.