3,4-Dinitrobenzaldehyde
TL;DR: 3,4-Dinitrobenzaldehyde (CAS 35998-98-2) is a chemical compound with molecular formula C7H4N2O5 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dinitrobenzaldehyde
Also Known As: 3,4-dinitrobenzaldehyde, 3,4-Dinitro-benzaldehyde, Entacapone Impurity 95, Benzaldehyde, 3,4-dinitro-, Benzaldehyde,3,4-dinitro-
| Molecular Formula | C7H4N2O5 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 1.3155 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.01202 |
| Heavy Atoms | 14 |
| Complexity | 414.54123 |
Chemical Identifiers
| CAS Number | 35998-98-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,4-Dinitrobenzaldehyde (CAS 35998-98-2), with molecular formula C7H4N2O5 and molecular weight 196.01 g/mol. IUPAC: 3,4-dinitrobenzaldehyde.
Chemical Property Profile of 3,4-Dinitrobenzaldehyde
Property Insights of 3,4-Dinitrobenzaldehyde
The XLogP value of 1.3155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dinitrobenzaldehyde. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dinitrobenzaldehyde. Following Lipinski's Rule of Five, 3,4-Dinitrobenzaldehyde has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dinitrobenzaldehyde?
The CAS number of 3,4-Dinitrobenzaldehyde is 35998-98-2.
What is the molecular formula of 3,4-Dinitrobenzaldehyde?
The molecular formula of 3,4-Dinitrobenzaldehyde is C7H4N2O5.
What is the molecular weight of 3,4-Dinitrobenzaldehyde?
The molecular weight of 3,4-Dinitrobenzaldehyde is 196.01 g/mol.
Where can I buy 3,4-Dinitrobenzaldehyde?
You can request a quote for 3,4-Dinitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dinitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dinitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.