3-Nitrophenyl azide
TL;DR: 3-Nitrophenyl azide (CAS 1516-59-2) is a chemical compound with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azido-3-nitrobenzene
Also Known As: 1-Azido-3-nitrobenzene, 3-Nitrophenyl azide, m-Nitrophenyl azide, Benzene, 1-azido-3-nitro-, 3-nitrophenylazide
| Molecular Formula | C6H4N4O2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.03343 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1516-59-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=[N+]=[N-] |
| InChIKey | AMLBZFBNQYJIRI-UHFFFAOYSA-N |
Product Overview
3-Nitrophenyl azide (CAS 1516-59-2), with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol. IUPAC: 1-azido-3-nitrobenzene.
Chemical Property Profile of 3-Nitrophenyl azide
Property Insights of 3-Nitrophenyl azide
The XLogP value of 3.0 indicates that 3-Nitrophenyl azide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl azide. Following Lipinski's Rule of Five, 3-Nitrophenyl azide has 0 hydrogen bond donor(s) and 4 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-Nitrophenyl azide?
The CAS number of 3-Nitrophenyl azide is 1516-59-2.
What is the molecular formula of 3-Nitrophenyl azide?
The molecular formula of 3-Nitrophenyl azide is C6H4N4O2.
What is the molecular weight of 3-Nitrophenyl azide?
The molecular weight of 3-Nitrophenyl azide is 164.03 g/mol.
Where can I buy 3-Nitrophenyl azide?
You can request a quote for 3-Nitrophenyl azide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl azide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl azide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.