2-Nitro-4-(trichloroethenyl)aniline
TL;DR: 2-Nitro-4-(trichloroethenyl)aniline (CAS 63630-18-2) is a chemical compound with molecular formula C8H5Cl3N2O2 and molecular weight 265.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(1,2,2-trichloroethenyl)aniline
Also Known As: 2-Nitro-4-(trichloroethenyl)aniline, 4(trichloroethenyl) o-nitroaniline, 2-nitro-4-(1,2,2-trichloroethenyl)aniline, 2-Nitro-4-(1,2,2-trichloroethen-1-yl)aniline
| Molecular Formula | C8H5Cl3N2O2 |
|---|---|
| Molecular Weight | 265.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.94165 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 63630-18-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=C(Cl)Cl)Cl)[N+](=O)[O-])N |
| InChIKey | KVMJXBITHVSDBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-4-(trichloroethenyl)aniline (CAS 63630-18-2), with molecular formula C8H5Cl3N2O2 and molecular weight 265.94 g/mol. IUPAC: 2-nitro-4-(1,2,2-trichloroethenyl)aniline.
Chemical Property Profile of 2-Nitro-4-(trichloroethenyl)aniline
Property Insights of 2-Nitro-4-(trichloroethenyl)aniline
The XLogP value of 3.9 indicates that 2-Nitro-4-(trichloroethenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trichloroethenyl)aniline. Following Lipinski's Rule of Five, 2-Nitro-4-(trichloroethenyl)aniline 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 2-Nitro-4-(trichloroethenyl)aniline?
The CAS number of 2-Nitro-4-(trichloroethenyl)aniline is 63630-18-2.
What is the molecular formula of 2-Nitro-4-(trichloroethenyl)aniline?
The molecular formula of 2-Nitro-4-(trichloroethenyl)aniline is C8H5Cl3N2O2.
What is the molecular weight of 2-Nitro-4-(trichloroethenyl)aniline?
The molecular weight of 2-Nitro-4-(trichloroethenyl)aniline is 265.94 g/mol.
Where can I buy 2-Nitro-4-(trichloroethenyl)aniline?
You can request a quote for 2-Nitro-4-(trichloroethenyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-(trichloroethenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(trichloroethenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.