6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
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Basic information
- CAS
40971-95-7- Standard SMILES
FC(F)(F)c1nnc2ccc(Cl)nn12- InChIKey
IJESFQCCOFNOQG-UHFFFAOYSA-N- Molecular formula
- C6H2ClF3N4
- Average molar mass
- 222.55 g/mol
- Monoisotopic mass
- 221.9920084
Names & identifiers
- Preferred name
- 6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine
- IUPAC
- 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- English name
- 6-Chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
- Molecular formula
- C6H2ClF3N4
- Molecular weight
- 222.56
Names & synonyms
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541615885-790-240971-95-76-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazineMFCD00505462MMV069458STK723017PD061555SMR0002827706-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazine
Show more names
1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-(trifluoromethyl)-
EN300-24772SR-01000530696A914357MLS000713003SCHEMBL750158SCHEMBL4444634CHEMBL1484078DTXSID10346628
Database identifiers
- CAS
40971-95-7- PubChem CID
- 613657
- DTXSID
DTXSID10346628- ChEMBL
CHEMBL1484078- EC Number
- 885-790-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Solubility20.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -3.32 · -3.32±0.30(Predicted)
- form
- solid
- color
- Grey
- Comptox DTXSID
- 10346628 · DTXSID10346628
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- HS Code
- 2933990099 · 2933990099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Safety data
- hs_code
- 2933990099
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
171 records
Compound notes
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