Basic information
- CAS
58826-40-7- Standard SMILES
Cc1cc(Cl)nn2cnnc12- InChIKey
BIJIVKKVAJMSBJ-UHFFFAOYSA-N- Molecular formula
- C6H5ClN4
- Average molar mass
- 168.58 g/mol
- Monoisotopic mass
- 168.0202739
Names & identifiers
- Preferred name
- 6-Chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
- English name
- 6-Chloro-8-Methyl-[1,2,4]Triazolo[4,3-B]Pyridazine
- Molecular formula
- C6H5ClN4
- Molecular weight
- 168.58
Names & synonyms
6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine58826-40-7MFCD012070146-chloro-8-methyl-1,2,4-triazolo[4,3-b]pyridazineSCHEMBL85588591,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-8-methyl-DTXSID20398799BIJIVKKVAJMSBJ-UHFFFAOYSA-NAKOS001665206AS-68546SY125725DB-197222
Show more names
6-chloro-8-methyl-[1,2,4]triazolo[1,5-b]pyridazine6-chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine(WXC05471)
CS-0038713W13091F5311386-Chloro-8-methyl-[124]triazolo[43-b]pyridazine6-chloro-8-methyl-1,2,4,triazolo[4,3-b]pyridazine6-Chloro-8-methyl[1,2,4]triazolo[4,3-b]pyridazine6-chloro-8-methyl-1,2,4-triazolo [4,3-b]pyridazine
Database identifiers
- CAS
58826-40-7- PubChem CID
- 4053113
- DTXSID
DTXSID20398799- EC Number
- 189-892-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 135 · 135-136 °C(Solvent: Ethanol)
- Density
- 1.6 · 1.600±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.167 · 0.167±0.30(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
上海九芳科技有限公司021-61150629 15921749159 · [email protected]
常州协丰医药研发有限公司519-85601385 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
4 records
Compound notes
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