1(2H)-Phthalazinone

C8H6N2OCAS 119-39-1146.15 g/mol

Open in Covalent MOL file
OHNN
Phenol

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
Melting point
188 °C
Boiling point
337.2 °C
Water solubility
insoluble
logP
1.34Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
119-39-1
SMILES
Oc1nncc2ccccc12
InChIKey
IJAPPYDYQCXOEF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1-Phthalazinol
  • Phthalazinone
  • Phthalazin-1-one
  • 1-Hydroxyphthalazine
  • 1-Oxophthalazine
  • ICX 56225770
  • NSC 10432
  • NSC 52567
  • 2H-Phthalaz-1-one
  • 1-Hydroxy-2,3-benzodiazine

Work with 1(2H)-Phthalazinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dihydro-1,4-phthalazinedione1445-69-858 % similar 1(2H)-Isoquinolinone491-30-548 % similar 1,2,3-Benzotriazin-4-one90-16-447 % similar Phthalazine253-52-146 % similar Phenanthridine229-87-840 % similar Isoquinolin-5-ol2439-04-539 % similar 1-Naphthol90-15-339 % similar 6(5H)-Phenanthridinone1015-89-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Indazole-5-carboxaldehyde253801-04-6 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-2 4-Cyanobenzamide3034-34-2

Elsewhere

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