N-(3-Chlorophenyl)-2,4,6-trinitroaniline
TL;DR: N-(3-Chlorophenyl)-2,4,6-trinitroaniline (CAS 42499-14-9) is a chemical compound with molecular formula C12H7ClN4O6 and molecular weight 338.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2,4,6-trinitroaniline
Also Known As: (3-chloro-phenyl)-picryl-amine, 3'-Chloro-2,4,6-trinitrodiphenylamine, N-(3-Chlorophenyl)-2,4,6-trinitroaniline, 3 -Chloro-2,4,6-trinitrodiphenylamine, J1.427.483I
| Molecular Formula | C12H7ClN4O6 |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0054 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 42499-14-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GSRLJZRKZZUSPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Chlorophenyl)-2,4,6-trinitroaniline (CAS 42499-14-9), with molecular formula C12H7ClN4O6 and molecular weight 338.01 g/mol. IUPAC: N-(3-chlorophenyl)-2,4,6-trinitroaniline.
Chemical Property Profile of N-(3-Chlorophenyl)-2,4,6-trinitroaniline
Property Insights of N-(3-Chlorophenyl)-2,4,6-trinitroaniline
The XLogP value of 4.1 indicates that N-(3-Chlorophenyl)-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting N-(3-Chlorophenyl)-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 7 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 N-(3-Chlorophenyl)-2,4,6-trinitroaniline?
The CAS number of N-(3-Chlorophenyl)-2,4,6-trinitroaniline is 42499-14-9.
What is the molecular formula of N-(3-Chlorophenyl)-2,4,6-trinitroaniline?
The molecular formula of N-(3-Chlorophenyl)-2,4,6-trinitroaniline is C12H7ClN4O6.
What is the molecular weight of N-(3-Chlorophenyl)-2,4,6-trinitroaniline?
The molecular weight of N-(3-Chlorophenyl)-2,4,6-trinitroaniline is 338.01 g/mol.
Where can I buy N-(3-Chlorophenyl)-2,4,6-trinitroaniline?
You can request a quote for N-(3-Chlorophenyl)-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.