Basic information
- CAS
1698-62-0- Standard SMILES
CNc1cnn(-c2ccccc2)c(=O)c1Cl- InChIKey
PVAJKGQADFDSFN-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O
- Average molar mass
- 235.67 g/mol
- Monoisotopic mass
- 235.0512396
Names & identifiers
- Preferred name
- 4-Chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinone
- IUPAC
- 4-chloro-5-(methylamino)-2-phenylpyridazin-3-one
- English name
- 4-chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinone
- Molecular formula
- C11H10ClN3O
- Molecular weight
- 235.6696
Names & synonyms
4-Chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinoneSAN 133-410HDTXSID90751193(2H)-Pyridazinone, 4-chloro-5-(methylamino)-2-phenyl-RefChem:291733DTXCID70354321698-62-04-Chloro-5-(methylamino)-2-phenylpyridazin-3(2H)-one4-Chloro-5-methylamino-2-phenyl-2H-pyridazin-3-one4-chloro-5-(methylamino)-2-phenylpyridazin-3-oneSMR0001757674-chloro-5-(methylamino)-2-phenyl-2,3-dihydropyridazin-3-one
Show more names
Cambridge id 5344071Oprea1_324080Oprea1_574176MLS000568367CHEMBL1346283PVAJKGQADFDSFN-UHFFFAOYSA-NHMS2327N20AKOS000558878
Database identifiers
- CAS
1698-62-0- PubChem CID
- 74335
- DTXSID
DTXSID9075119- ChEMBL
CHEMBL1346283- EC Number
- 103-472-7
- Nikkaji
- J1.605.357K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
LogP1.19
Physicochemical properties
- EPA Substance Registry System
- 4 · 4-Chloro-5-(methylamino)-2-phenyl-3(2H)-pyridazinone (1698-62-0)
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
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%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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