6-(4-Fluorophenyl)pyridazin-3-ol

HCID 4564862

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Basic information

CAS: 58897-67-9
Standard SMILES: O=c1ccc(-c2ccc(F)cc2)n[nH]1
InChIKey: SWHTYHMWPIYECQ-UHFFFAOYSA-N
Molecular formula: C10H7FN2O
Average molar mass: 190.17 g/mol
Monoisotopic mass: 190.05424106

Names & identifiers

Preferred name: 6-(4-Fluorophenyl)pyridazin-3-ol
IUPAC: 3-(4-fluorophenyl)-1H-pyridazin-6-one
English name: 6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE
Molecular formula: C10H7FN2O
Molecular weight: 190.17

Names & synonyms

58897-67-96-(4-fluorophenyl)pyridazin-3-olDTXSID50404317RefChem:306645DTXCID30355171853-489-56-(4-fluorophenyl)pyridazin-3(2H)-one6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE3-(4-fluorophenyl)-1H-pyridazin-6-oneMFCD034165793(2H)-Pyridazinone, 6-(4-fluorophenyl)-F1967-0287

Show more names

3-Hydroxy-6-(4-fluorophenyl)pyridazineChemDiv3_0155753(2H)-Pyridazinone,6-(4-fluorophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridazin-3-one6-(4-fluorophenyl)-2H-pyridazin-3-oneSCHEMBL4122238CHEMBL4130090SWHTYHMWPIYECQ-UHFFFAOYSA-N

Database identifiers

CAS: 58897-67-9
PubChem CID: 4564862
DTXSID: DTXSID50404317
ChEMBL: CHEMBL4130090
EC Number: 853-489-5
Nikkaji: J685.148G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 290

Physicochemical properties

Melting point: 265 · 265-268 °C
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.01 · 11.01±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501