1,3,4-Trichloro-2-methyl-5-nitrobenzene
TL;DR: 1,3,4-Trichloro-2-methyl-5-nitrobenzene (CAS 22548-85-2) is a chemical compound with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trichloro-2-methyl-5-nitrobenzene
Also Known As: 4-Nitro-2,3,6-trichlorotoluene, 1,3,4-trichloro-2-methyl-5-nitrobenzene, BAS 00090344, 1,3,4-Trichloro-2-methyl-5-nitro-benzene, 2,3,5-Trichloro-4-methyl-nitrobenzene
| Molecular Formula | C7H4Cl3NO2 |
|---|---|
| Molecular Weight | 238.93 g/mol |
| LogP | 3.86342 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.93076 |
| Heavy Atoms | 13 |
| Complexity | 378.49066 |
Chemical Identifiers
| CAS Number | 22548-85-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl |
Product Overview
1,3,4-Trichloro-2-methyl-5-nitrobenzene (CAS 22548-85-2), with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol. IUPAC: 1,3,4-trichloro-2-methyl-5-nitrobenzene.
Chemical Property Profile of 1,3,4-Trichloro-2-methyl-5-nitrobenzene
Property Insights of 1,3,4-Trichloro-2-methyl-5-nitrobenzene
The XLogP value of 3.86342 indicates that 1,3,4-Trichloro-2-methyl-5-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, 1,3,4-Trichloro-2-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Trichloro-2-methyl-5-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 1,3,4-Trichloro-2-methyl-5-nitrobenzene?
The CAS number of 1,3,4-Trichloro-2-methyl-5-nitrobenzene is 22548-85-2.
What is the molecular formula of 1,3,4-Trichloro-2-methyl-5-nitrobenzene?
The molecular formula of 1,3,4-Trichloro-2-methyl-5-nitrobenzene is C7H4Cl3NO2.
What is the molecular weight of 1,3,4-Trichloro-2-methyl-5-nitrobenzene?
The molecular weight of 1,3,4-Trichloro-2-methyl-5-nitrobenzene is 238.93 g/mol.
Where can I buy 1,3,4-Trichloro-2-methyl-5-nitrobenzene?
You can request a quote for 1,3,4-Trichloro-2-methyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Trichloro-2-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Trichloro-2-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.