3,4,6-Trichloro-2-nitroaniline
TL;DR: 3,4,6-Trichloro-2-nitroaniline (CAS 40157-48-0) is a chemical compound with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-trichloro-2-nitroaniline
Also Known As: starbld0014999, 3,4,6-trichloro-2-nitroaniline, 3,4,6-trichloro-2-nitroBenzenamine, 3,4,6-trichloro-2-nitro-aniline, (3,4,6-trichloro-2-nitrophenyl)amine
| Molecular Formula | C6H3Cl3N2O2 |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 3.1372 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.92601 |
| Heavy Atoms | 13 |
| Complexity | 354.3824 |
Chemical Identifiers
| CAS Number | 40157-48-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])N)Cl |
Product Overview
3,4,6-Trichloro-2-nitroaniline (CAS 40157-48-0), with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol. IUPAC: 3,4,6-trichloro-2-nitroaniline.
Chemical Property Profile of 3,4,6-Trichloro-2-nitroaniline
Property Insights of 3,4,6-Trichloro-2-nitroaniline
The XLogP value of 3.1372 indicates that 3,4,6-Trichloro-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Trichloro-2-nitroaniline. Following Lipinski's Rule of Five, 3,4,6-Trichloro-2-nitroaniline has 1 hydrogen bond donor(s) and 3 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 3,4,6-Trichloro-2-nitroaniline?
The CAS number of 3,4,6-Trichloro-2-nitroaniline is 40157-48-0.
What is the molecular formula of 3,4,6-Trichloro-2-nitroaniline?
The molecular formula of 3,4,6-Trichloro-2-nitroaniline is C6H3Cl3N2O2.
What is the molecular weight of 3,4,6-Trichloro-2-nitroaniline?
The molecular weight of 3,4,6-Trichloro-2-nitroaniline is 239.93 g/mol.
Where can I buy 3,4,6-Trichloro-2-nitroaniline?
You can request a quote for 3,4,6-Trichloro-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Trichloro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Trichloro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.