- 3-Nitrophthalic anhydride
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- $62.79 / 25Kg/Drum
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2026-05-19
- CAS:641-70-3
- Min. Order: 25Kg/Drum
- Purity: 98.00%HPLC
- Supply Ability: 8.8tons/month
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| | 3-Nitrophthalic anhydride Basic information |
| Product Name: | 3-Nitrophthalic anhydride | | Synonyms: | 1,3-Isobenzofurandione, 4-nitro-;1,3-Isobenzofurandione,4-nitro-;3-Isobenzofurandione,4-nitro-1;NSC 4134;3-Nitrophthalic anhydride, synthesis grade;4-Nitrobenzo[c]furan-1,3-dione, 4-Nitro-2-benzofuran-1,3-dione, 4-Nitroisobenzofuran-1,3-dione;3-Nitrophthalic anhydride,97%;Phthalic anhydride, 3-nitro- (6CI,7CI,8CI) | | CAS: | 641-70-3 | | MF: | C8H3NO5 | | MW: | 193.11 | | EINECS: | 211-373-6 | | Product Categories: | Anhydride Monomers;Monomers;Polymer Science;Carbonyl Compounds;Carboxylic Acid Anhydrides;Organic Building Blocks;Building Blocks;Carbonyl Compounds;Carboxylic Acid Anhydrides;Chemical Synthesis;Organic Building Blocks;Amines;Aromatics;Intermediates;Phthalic Acids, Esters and Derivatives;Dyes intermediates | | Mol File: | 641-70-3.mol |  |
| | 3-Nitrophthalic anhydride Chemical Properties |
| 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 | | InChI | InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H | | InChIKey | ROFZMKDROVBLNY-UHFFFAOYSA-N | | SMILES | C1(=O)C2=C(C([N+]([O-])=O)=CC=C2)C(=O)O1 | | 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) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | F | 10-21 | | TSCA | TSCA listed | | HS Code | 29173980 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Nitrophthalic anhydride Usage And Synthesis |
| Chemical Properties | Beige to yellow crystalline powder | | Uses | An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472). Reactions with aminoquinazolinones yield phthalimidoquinazolinones. | | Uses | 4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to yield phthalimidoquinazolinones. | | 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. | | Synthesis | General procedure for the synthesis of 3-nitrophthalic anhydride from 3-nitrophthalic acid: 474.8 g (2.25 mol) of 3-nitrophthalic acid was dissolved in 450 ml of acetic anhydride and the reaction was stirred under reflux conditions for 1 hour. Upon completion of the reaction, the reaction solution was slowly cooled to 80 °C. Subsequently, 1000 ml of methyl tert-butyl ether (MTBE) was quickly added and the mixture was cooled to 15 °C to promote crystallization. The resulting solid product was separated by filtration, washed with methyl tert-butyl ether (MTBE) and finally dried in a vacuum oven at 40 °C. The yield of the reaction was 88.8%. | | 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.] | | References | [1] Organic Letters, 2010, vol. 12, # 21, p. 4796 - 4799
[2] Bioorganic Chemistry, 2018, vol. 81, p. 373 - 381
[3] Synthetic Communications, 2016, vol. 46, # 16, p. 1343 - 1348
[4] Patent: WO2007/6566, 2007, A1. Location in patent: Page/Page column 28; 32-33
[5] Tetrahedron Letters, 2017, vol. 58, # 32, p. 3160 - 3163 |
| | 3-Nitrophthalic anhydride Preparation Products And Raw materials |
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