3-Chloroaniline;2,4,6-trinitrophenol
TL;DR: 3-Chloroaniline;2,4,6-trinitrophenol (CAS 10530-56-0) is a chemical compound with molecular formula C12H9ClN4O7 and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroaniline;2,4,6-trinitrophenol
Also Known As: 3-chloro-aniline; picrate, 3-chloroaniline,2,4,6-trinitrophenol, 3-Chloroaniline;2,4,6-trinitrophenol, 3-chloroaniline; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--3-chloroaniline (1/1)
| Molecular Formula | C12H9ClN4O7 |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 3.039 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 356.016 |
| Heavy Atoms | 24 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 10530-56-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YKCJAUZJWBZXOT-UHFFFAOYSA-N |
Product Overview
3-Chloroaniline;2,4,6-trinitrophenol (CAS 10530-56-0), with molecular formula C12H9ClN4O7 and molecular weight 356.02 g/mol. IUPAC: 3-chloroaniline;2,4,6-trinitrophenol.
Chemical Property Profile of 3-Chloroaniline;2,4,6-trinitrophenol
Property Insights of 3-Chloroaniline;2,4,6-trinitrophenol
The XLogP value of 3.039 indicates that 3-Chloroaniline;2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting 3-Chloroaniline;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Chloroaniline;2,4,6-trinitrophenol has 2 hydrogen bond donor(s) and 8 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-Chloroaniline;2,4,6-trinitrophenol?
The CAS number of 3-Chloroaniline;2,4,6-trinitrophenol is 10530-56-0.
What is the molecular formula of 3-Chloroaniline;2,4,6-trinitrophenol?
The molecular formula of 3-Chloroaniline;2,4,6-trinitrophenol is C12H9ClN4O7.
What is the molecular weight of 3-Chloroaniline;2,4,6-trinitrophenol?
The molecular weight of 3-Chloroaniline;2,4,6-trinitrophenol is 356.02 g/mol.
Where can I buy 3-Chloroaniline;2,4,6-trinitrophenol?
You can request a quote for 3-Chloroaniline;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroaniline;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroaniline;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.