3-Nitrobenzaldehyde
TL;DR: 3-Nitrobenzaldehyde (CAS 99-61-6) is a chemical compound with molecular formula C7H5NO3 and molecular weight 151.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitrobenzaldehyde
Also Known As: 3-NITROBENZALDEHYDE, m-Nitrobenzaldehyde, Benzaldehyde, 3-nitro-, meta-nitrobenzaldehyde, 3-Formylnitrobenzene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.02695 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.02695 Da |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=O |
| InChIKey | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitrobenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitrobenzaldehyde (CAS 99-61-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Nitrobenzaldehyde is a heterocyclic building block identified by CAS number 99-61-6 and the molecular formula C7H5NO3 and a molecular weight of 151.03 g/mol. It is also known as 3-NITROBENZALDEHYDE and m-Nitrobenzaldehyde.
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 3-Nitrobenzaldehyde
Property Insights of 3-Nitrobenzaldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Nitrobenzaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzaldehyde?
The CAS number of 3-Nitrobenzaldehyde is 99-61-6.
What is the molecular formula of 3-Nitrobenzaldehyde?
The molecular formula of 3-Nitrobenzaldehyde is C7H5NO3.
What is the molecular weight of 3-Nitrobenzaldehyde?
The molecular weight of 3-Nitrobenzaldehyde is 151.02695 g/mol.
What are the applications of 3-Nitrobenzaldehyde?
3-Nitrobenzaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Nitrobenzaldehyde (CAS 99-61-6)...
Where can I buy 3-Nitrobenzaldehyde?
You can request a quote for 3-Nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.