4-(4-Fluorophenyl)-1,2-dihydrophthalazin-1-one

HCID 722258

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Basic information

CAS: 1766-63-8
Standard SMILES: O=c1[nH]nc(-c2ccc(F)cc2)c2ccccc12
InChIKey: ZMXMVYKPVMNLOJ-UHFFFAOYSA-N
Molecular formula: C14H9FN2O
Average molar mass: 240.23 g/mol
Monoisotopic mass: 240.06989113

Names & identifiers

Preferred name: 4-(4-Fluorophenyl)-1,2-dihydrophthalazin-1-one
IUPAC: 4-(4-fluorophenyl)-2H-phthalazin-1-one
English name: 1(2H)-Phthalazinone, 4-(4-fluorophenyl)-
Molecular formula: C14H9FN2O
Molecular weight: 240.23

Names & synonyms

1766-63-84-(4-fluorophenyl)-1,2-dihydrophthalazin-1-oneDTXSID00352278RefChem:288012DTXCID20303343851-451-24-(4-fluorophenyl)phthalazin-1(2H)-one4-(4-fluorophenyl)-2H-phthalazin-1-one1(2H)-Phthalazinone, 4-(4-fluorophenyl)-MFCD008299404-(4-fluorophenyl)-2-hydrophthalazin-1-oneMaybridge1_003244

Show more names

Cambridge id 5856965Oprea1_023905SCHEMBL78849634-Fluorophenylphthalazine-1-oneHMS550L10ZMXMVYKPVMNLOJ-UHFFFAOYSA-NBAA76663SMSF0008619

Database identifiers

CAS: 1766-63-8
PubChem CID: 722258
DTXSID: DTXSID00352278
EC Number: 851-451-2

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 361

Physicochemical properties

Melting point: 267 · 267.0-268.5 °C
Density: 1.31 · 1.31±0.1 g/cm3(Predicted)
pka: 11.82 · 11.82±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P