Basic information
- CAS
477889-88-6- Standard SMILES
FC(F)c1nnc2ccc(Cl)nn12- InChIKey
ROMPZOMVJLWOLW-UHFFFAOYSA-N- Molecular formula
- C6H3ClF2N4
- Average molar mass
- 204.56 g/mol
- Monoisotopic mass
- 204.00143022
Names & identifiers
- Preferred name
- 6-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
- English name
- 6-Chloro-3-(difluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
- Molecular formula
- C6H3ClF2N4
- Molecular weight
- 204.56
Names & synonyms
6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineDTXSID8013267106-chloro-3-(difluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541605DTXCID701756116867-833-7477889-88-66-chloro-3-(difluoromethyl)[1,2,4]triazolo[4,3-b]pyridazineMFCD02186392MLS000721272SCHEMBL2263665CHEMBL1612739
Show more names
1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-(difluoromethyl)-
YQF13486-chloro-3-difluoromethyl-[1,2,4]triazolo[4,3-b]pyridazineHMS2688I08CUA88988AKOS009315214SMR000335698CS-0452757EN300-108340
Database identifiers
- CAS
477889-88-6- PubChem CID
- 1472385
- DTXSID
DTXSID801326710- ChEMBL
CHEMBL1612739- EC Number
- 867-833-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- -2.52 · -2.52±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
14 records
Compound notes
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