1(2H)-Phthalazinone
Synonym(s):Benzo[d]pyridazin-1(2H)one
- CAS NO.：119-39-1
- Empirical Formula: C8H6N2O
- Molecular Weight: 146.15
- MDL number: MFCD00006892
- EINECS: 204-319-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-09 22:15:29
What is 1(2H)-Phthalazinone?
Chemical properties
Off-white to pale yellow crystalline powder
The Uses of 1(2H)-Phthalazinone
Phthalazone is a remarkable scaffold in drug discovery. Also, functions as an oxidative metabolic pathway of lenvatinib mediated by aldehyde oxidase.
Definition
ChEBI: Phthalazin-1(2H)-one is a member of phthalazines.
General Description
Pale yellow crystals. Insoluble in water.
Air & Water Reactions
Insoluble in water.
Fire Hazard
Flash point data for 1(2H)-Phthalazinone are not available. 1(2H)-Phthalazinone is probably combustible.
Purification Methods
Phthalazone crystallises from H2O or EtOH and sublimes in vacuo. [Beilstein 24 H 142, 24 24 III/IV 400.]
Properties of 1(2H)-Phthalazinone
| Melting point: | 183-185 °C(lit.) |
| Boiling point: | 337°C(lit.) |
| Density | 1.2312 (rough estimate) |
| refractive index | 1.4900 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 12.29±0.20(Predicted) |
| color | Off-white to pale yellow |
| BRN | 3654 |
| CAS DataBase Reference | 119-39-1(CAS DataBase Reference) |
| EPA Substance Registry System | 1(2H)-Phthalazinone (119-39-1) |
Safety information for 1(2H)-Phthalazinone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 1(2H)-Phthalazinone
| InChIKey | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
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