3-Nitrophthalic anhydride
Synonym(s):3-Nitrophthalic acid anhydride;3-Nitrophthalic anhydride;4-Nitro-2-benzofuran-1,3-dione;4-Nitroisobenzofuran-1,3-dione
- CAS NO.：641-70-3
- Empirical Formula: C8H3NO5
- Molecular Weight: 193.11
- MDL number: MFCD00005921
- EINECS: 211-373-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:32
What is 3-Nitrophthalic anhydride?
Chemical properties
Beige to yellow crystalline powder
The Uses of 3-Nitrophthalic anhydride
An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472). Reactions with aminoquinazolinones yield phthalimidoquinazolinones.
The Uses of 3-Nitrophthalic anhydride
4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to yield phthalimidoquinazolinones.
What are the applications of Application
4-Nitrophthalic Anhydride is an intermediate for the synthesis of ABT-472
Preparation
3-Nitrophthalic anhydride can be prepared by heating 3-nitrophthalic acid under various conditions and by the action of acetic anhydride, essentially as in the procedure described. The direct nitration of phthalic anhydride yields 3-nitrophthalic anhydride together with the isomeric 4-nitro compound.
Purification Methods
Crystallise it from *C6H6, *C6H6/pet ether, Me2CO, AcOH, or Ac2O (m 164-165o). Dry it at 100o. [Beilstein 17 III/IV 6149, 17/11 V 266.]
Properties of 3-Nitrophthalic anhydride
| Melting point: | 163-165 °C (lit.) |
| Boiling point: | 329.3°C (rough estimate) |
| Density | 1.6392 (rough estimate) |
| refractive index | 1.4700 (estimate) |
| storage temp. | Store below +30°C. |
| form | Crystalline Powder |
| color | Beige to yellow |
| Water Solubility | MAY DECOMPOSE |
| Sensitive | Moisture Sensitive |
| BRN | 179963 |
| CAS DataBase Reference | 641-70-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Nitrophthalic anhydride(641-70-3) |
| EPA Substance Registry System | 1,3-Isobenzofurandione, 4-nitro- (641-70-3) |
Safety information for 3-Nitrophthalic anhydride
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. 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. |
Computed Descriptors for 3-Nitrophthalic anhydride
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