2-Nitrobenzaldehyde
TL;DR: 2-Nitrobenzaldehyde (CAS 552-89-6) 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.
2-nitrobenzaldehyde
Also Known As: 2-NITROBENZALDEHYDE, o-Nitrobenzaldehyde, Nitrobenzaldehyde, Benzaldehyde, 2-nitro-, Benzaldehyde, o-nitro-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.02695 g/mol |
| XLogP | 1.7 |
| 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=C(C(=C1)C=O)[N+](=O)[O-] |
| InChIKey | CMWKITSNTDAEDT-UHFFFAOYSA-N |
Product Description
Applications: 2-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 2-Nitrobenzaldehyde (CAS 552-89-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Nitrobenzaldehyde is a heterocyclic building block identified by CAS number 552-89-6 and the molecular formula C7H5NO3 and a molecular weight of 151.03 g/mol. It is also known as 2-NITROBENZALDEHYDE and o-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 2-Nitrobenzaldehyde
Property Insights of 2-Nitrobenzaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-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 2-Nitrobenzaldehyde?
The CAS number of 2-Nitrobenzaldehyde is 552-89-6.
What is the molecular formula of 2-Nitrobenzaldehyde?
The molecular formula of 2-Nitrobenzaldehyde is C7H5NO3.
What is the molecular weight of 2-Nitrobenzaldehyde?
The molecular weight of 2-Nitrobenzaldehyde is 151.02695 g/mol.
What are the applications of 2-Nitrobenzaldehyde?
2-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 2-Nitrobenzaldehyde (CAS 552-89-6)...
Where can I buy 2-Nitrobenzaldehyde?
You can request a quote for 2-Nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.