5-Amino-2-phenylpyridazin-3(2H)-one
Basic information
- CAS
13589-77-0- Standard SMILES
Nc1cnn(-c2ccccc2)c(=O)c1- InChIKey
FSMPZHMHKJEXDT-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- 5-Amino-2-phenylpyridazin-3(2H)-one
- IUPAC
- 5-amino-2-phenylpyridazin-3-one
- English name
- 5-amino-2-phenylpyridazin-3(2H)-one
- Molecular formula
- C10H9N3O
- Molecular weight
- 187.2
Names & synonyms
5-Amino-2-phenylpyridazin-3(2H)-one13589-77-05-amino-2-phenylpyridazin-3-oneEINECS 237-025-35-Amino-2-phenyl-3(2H)-pyridazinoneMFCD180715443(2H)-Pyridazinone, 5-amino-2-phenyl-5-amino-2-phenyl-2,3-dihydropyridazin-3-one2-Phenyl-5-aminopyridazine-3(2H)-oneSCHEMBL83372855-amino-2-phenyl-3-pyridazinoneDTXSID30159590
Show more names
AKOS022178256DS-8112SY121363CS-0156129NS000244035-chloro-4-amino-2-phenyl-3(2H)-pyridazinoneD82760EN300-7417479
Database identifiers
- CAS
13589-77-0- PubChem CID
- 83596
- DTXSID
DTXSID30159590- EC Number
- 237-025-3
- Nikkaji
- J241.201B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 209 · 209-211 °C
- Boiling point
- 326.3 · 326.3±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.99 · 1.99±0.20(Predicted)
- color
- Pale Beige to Light Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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