3-Nitrophthalic anhydride
- CAS No.
- 641-70-3
- Chemical Name:
- 3-Nitrophthalic anhydride
- Synonyms
- 1,3-Isobenzofurandione, 4-nitro-;3-Nitrophthalic Acid Anhydride;4-NITRO-ISOBENZOFURAN-1,3-DIONE;NSC 4134;NSC 27006;3-NitrophthaL;Pomalidomide INT;Apremilast Impurity 90;Pomadomide impurity 36.;Pomalidomide Impurity 36
- CBNumber:
- CB8116378
- Molecular Formula:
- C8H3NO5
- Molecular Weight:
- 193.11
- MDL Number:
- MFCD00005921
- MOL File:
- 641-70-3.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 3-Nitrophthalic anhydride for synthesis | 8.20903 | 25g | $95.7 |
| 3-Nitrophthalic anhydride for synthesis | 8.20903 | 100g | $179 |
| 3-Nitrophthalic anhydride 98% | 156884 | 5g | $84 |
| 3-Nitrophthalic anhydride 98% | 156884 | 25g | $274 |
| 3-Nitrophthalic Anhydride >97.0%(GC)(T) | N0245 | 25g | $28 |
| More product size | |||
| 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) |
| FDA UNII | X2BXS9KCY2 |
| NIST Chemistry Reference | 3-Nitrophthalic anhydride(641-70-3) |
| EPA Substance Registry System | 1,3-Isobenzofurandione, 4-nitro- (641-70-3) |
| UNSPSC Code | 12352115 |
| NACRES | NA.23 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| 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 |
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| NFPA 704 |
|
3-Nitrophthalic anhydride price More Price(79)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.20903 | 3-Nitrophthalic anhydride for synthesis | 641-70-3 | 25g | $95.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 8.20903 | 3-Nitrophthalic anhydride for synthesis | 641-70-3 | 100g | $179 | 2026-04-30 | Buy |
| Sigma-Aldrich | 156884 | 3-Nitrophthalic anhydride 98% | 641-70-3 | 5g | $84 | 2026-04-30 | Buy |
| Sigma-Aldrich | 156884 | 3-Nitrophthalic anhydride 98% | 641-70-3 | 25g | $274 | 2026-04-30 | Buy |
| TCI Chemical | N0245 | 3-Nitrophthalic Anhydride >97.0%(GC)(T) | 641-70-3 | 25g | $28 | 2026-04-30 | Buy |
3-Nitrophthalic anhydride Chemical Properties,Uses,Production
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
603-11-2
641-70-3
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
Raw materials
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Asia Chem I and E (Jiangsu) Co Ltd | +8615105181882 | mera.z@nitrobenzenechemical.com | China | 139 | 58 |
| Hefei Lbao Physical & Chemical Science Co.,Ltd | +15184799099 | lbaochemicals@gmail.com | China | 670 | 58 |
| Shaanxi Dideu Medichem Co. Ltd | +86-29-87569262 +86-15003564040 | 1056@dideu.com | China | 3970 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-86-13131129325 +8613131129325 | sales1@chuanghaibio.com | China | 5228 | 58 |
| Hebei Kangcang new material Technology Co., LTD | +8615713292910 | Nancy@kangcang.com.cn | China | 341 | 58 |
| ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | +86-13017695106 +86-13676922317 | jiuyitime@fdachem.com | China | 16512 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| Shanghai Daken Advanced Materials Co.,Ltd | +86-2158073036 | info@dakenam.com | China | 13901 | 58 |
| Beijing Cooperate Pharmaceutical Co.,Ltd | 010-60279497 | sales01@cooperate-pharm.com | CHINA | 1803 | 55 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21587 | 55 |
View Lastest Price from 3-Nitrophthalic anhydride manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-06-08 | 3-Nitrophthalic anhydride
641-70-3
|
$62.79 | 25Kg/Drum | 98.00%HPLC | 8.8tons/month | Asia Chem I and E (Jiangsu) Co Ltd | |
 |
2026-05-28 | 3-Nitrophthalic anhydride
641-70-3
|
$10.70 | 10kg | 99% | 10000kg | Hebei Chuanghai Biotechnology Co,.LTD | |
 |
2026-05-18 | 3-Nitrophthalic anhydride
641-70-3
|
1kg | 98% | Hefei Lbao Physical & Chemical Science Co.,Ltd |
-
- 3-Nitrophthalic anhydride
641-70-3
- $62.79
- 98.00%HPLC
- Asia Chem I and E (Jiangsu) Co Ltd
-
- 3-Nitrophthalic anhydride
641-70-3
- $10.70
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
-
- 3-Nitrophthalic anhydride
641-70-3
- $0.00
- 98%
- Hefei Lbao Physical & Chemical Science Co.,Ltd
