Phthalazin-1(2H)-one
Phthalazone
CAS: 119-39-1
Molecular Formula: C8H6N2O
Phthalazin-1(2H)-one - Names and Identifiers
| Name | Phthalazone |
| Synonyms | Pthalazone Phthalazone PHTHALAZONE 1(2H)-PHTHALAZINONE 2H-Phthalazin-1-one Phthalazin-1(2H)-one Phthalazinone, 1(2H)- BENZO[D]PYRIDAZIN-1(2H)ONE 1,2-Dihydrophthalazine-1-one 1-benzylpyrrolidine-3-carboxylic acid Benzo[d]pyridazin-1(2H)one1(2H)-Phthalazinone 1,2-Dihydro-1-oxophthalazine, Benzo[d]pyridazin-1(2H)-one, Phthalazone |
| CAS | 119-39-1 |
| EINECS | 204-319-8 |
| InChI | InChI=1/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15) |
| InChIKey | IJAPPYDYQCXOEF-UHFFFAOYSA-N |
Phthalazin-1(2H)-one - Physico-chemical Properties
| Molecular Formula | C8H6N2O |
| Molar Mass | 146.15 |
| Density | 1.2312 (rough estimate) |
| Melting Point | 183-185°C(lit.) |
| Boling Point | 337°C(lit.) |
| Flash Point | 161.288°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Pale yellow crystal |
| Color | Off-white to pale yellow |
| BRN | 3654 |
| pKa | 12.29±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4900 (estimate) |
| MDL | MFCD00006892 |
| Physical and Chemical Properties | Needle-like crystals (water). There are ketone type and hydroxyl type, with ketone type structure, sublimation of prismatic crystals, melting point 183-184 ℃, boiling point 337 ℃, soluble in water. |
Phthalazin-1(2H)-one - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R68 - Possible risk of irreversible effects R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| RTECS | TH9185000 |
| HS Code | 29339990 |
| Hazard Class | IRRITANT |
Phthalazin-1(2H)-one - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | An intermediate of hydralazine hydrochloride. |
| Production method | Naphthalene can be oxidized with potassium permanganate under alkaline conditions to form-α-carboxyacetophenone acid, and then cyclize with hydrazine sulfate to obtain 1-hydroxyphthalazine -4-carboxylic acid, which is decarboxylated (eliminated) at high temperature to obtain the product. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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