4-Nitrophthalimide
TL;DR: 4-Nitrophthalimide (CAS 89-40-7) is a chemical compound with molecular formula C8H4N2O4 and molecular weight 192.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitroisoindole-1,3-dione
Also Known As: 4-NITROPHTHALIMIDE, 5-nitroisoindoline-1,3-dione, 5-Nitrophthalimide, Phthalimide, 4-nitro-, 4-nitrophthalimid
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4N2O4 |
| Molecular Weight | 192.0171 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0171 Da |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
| Melting Point | 356 to 360 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O |
| InChIKey | ANYWGXDASKQYAD-UHFFFAOYSA-N |
Product Description
Applications: 4-Nitrophthalimide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-Nitrophthalimide is a heterocyclic building block identified by CAS number 89-40-7 and the molecular formula C8H4N2O4 and a molecular weight of 192.02 g/mol. Physically, the compound has a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). Synonyms include 4-NITROPHTHALIMIDE and 5-nitroisoindoline-1,3-dione.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Nitrophthalimide
Property Insights of 4-Nitrophthalimide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophthalimide. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophthalimide. Following Lipinski's Rule of Five, 4-Nitrophthalimide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitrophthalimide?
The CAS number of 4-Nitrophthalimide is 89-40-7.
What is the molecular formula of 4-Nitrophthalimide?
The molecular formula of 4-Nitrophthalimide is C8H4N2O4.
What is the molecular weight of 4-Nitrophthalimide?
The molecular weight of 4-Nitrophthalimide is 192.0171 g/mol.
What are the applications of 4-Nitrophthalimide?
4-Nitrophthalimide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Nitrophthalimide?
You can request a quote for 4-Nitrophthalimide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrophthalimide?
Yes, CoreyChem provides custom synthesis services for 4-Nitrophthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.