1,2,4-Trichloro-3-nitrobenzene
TL;DR: 1,2,4-Trichloro-3-nitrobenzene (CAS 27864-13-7) is a chemical compound with molecular formula C6H2Cl3NO2 and molecular weight 224.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3-nitrobenzene
Also Known As: 1,2,4-Trichloro-3-nitrobenzene, trichloro-2-nitrobenzene, 1,2,4-trichloronitrobenzene, 1,2,4-Trichloro-3-nitro-benzene, 2,3,6-Trichloronitrobenzene
| Molecular Formula | C6H2Cl3NO2 |
|---|---|
| Molecular Weight | 224.92 g/mol |
| LogP | 3.555 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.91512 |
| Heavy Atoms | 12 |
| Complexity | 339.81024 |
Chemical Identifiers
| CAS Number | 27864-13-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl |
Product Overview
1,2,4-Trichloro-3-nitrobenzene (CAS 27864-13-7), with molecular formula C6H2Cl3NO2 and molecular weight 224.92 g/mol. IUPAC: 1,2,4-trichloro-3-nitrobenzene.
Chemical Property Profile of 1,2,4-Trichloro-3-nitrobenzene
Property Insights of 1,2,4-Trichloro-3-nitrobenzene
The XLogP value of 3.555 indicates that 1,2,4-Trichloro-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,2,4-Trichloro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-3-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 1,2,4-Trichloro-3-nitrobenzene?
The CAS number of 1,2,4-Trichloro-3-nitrobenzene is 27864-13-7.
What is the molecular formula of 1,2,4-Trichloro-3-nitrobenzene?
The molecular formula of 1,2,4-Trichloro-3-nitrobenzene is C6H2Cl3NO2.
What is the molecular weight of 1,2,4-Trichloro-3-nitrobenzene?
The molecular weight of 1,2,4-Trichloro-3-nitrobenzene is 224.92 g/mol.
Where can I buy 1,2,4-Trichloro-3-nitrobenzene?
You can request a quote for 1,2,4-Trichloro-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.