4-Chloro-2-nitrobenzaldehyde
TL;DR: 4-Chloro-2-nitrobenzaldehyde (CAS 5551-11-1) is a chemical compound with molecular formula C7H4ClNO3 and molecular weight 184.98798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-nitrobenzaldehyde
Also Known As: 4-Chloro-2-nitrobenzaldehyde, null, Benzaldehyde, 4-chloro-2-nitro-, 4-chloro-2-nitro-benzaldehyde, Clomipramine Intermediates
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNO3 |
| Molecular Weight | 184.98798 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 | 184.98798 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O |
| InChIKey | MZPNQUMLOFWSEK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-nitrobenzaldehyde
Property Insights of 4-Chloro-2-nitrobenzaldehyde
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrobenzaldehyde. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-Chloro-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 4-Chloro-2-nitrobenzaldehyde?
The CAS number of 4-Chloro-2-nitrobenzaldehyde is 5551-11-1.
What is the molecular formula of 4-Chloro-2-nitrobenzaldehyde?
The molecular formula of 4-Chloro-2-nitrobenzaldehyde is C7H4ClNO3.
What is the molecular weight of 4-Chloro-2-nitrobenzaldehyde?
The molecular weight of 4-Chloro-2-nitrobenzaldehyde is 184.98798 g/mol.
Where can I buy 4-Chloro-2-nitrobenzaldehyde?
You can request a quote for 4-Chloro-2-nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.