2-Chloro-4-methyl-1,3,5-trinitrobenzene
TL;DR: 2-Chloro-4-methyl-1,3,5-trinitrobenzene (CAS 7431-77-8) is a chemical compound with molecular formula C7H4ClN3O6 and molecular weight 260.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-methyl-1,3,5-trinitrobenzene
Also Known As: 2-chloro-4-methyl-1,3,5-trinitrobenzene, Sinapine thiocyanate, 2,4,6-trinitro-3-chlorotoluene, 3-chloro-2,4,6-trinitro-toluene, 1-chloro-3-methyl-2,4,6-trinitrobenzene
| Molecular Formula | C7H4ClN3O6 |
|---|---|
| Molecular Weight | 260.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.97885 |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 7431-77-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | ZXJVKHVKSYEZCW-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-methyl-1,3,5-trinitrobenzene (CAS 7431-77-8), with molecular formula C7H4ClN3O6 and molecular weight 260.98 g/mol. IUPAC: 2-chloro-4-methyl-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Chloro-4-methyl-1,3,5-trinitrobenzene
Property Insights of 2-Chloro-4-methyl-1,3,5-trinitrobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-methyl-1,3,5-trinitrobenzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-methyl-1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 2-Chloro-4-methyl-1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 6 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-Chloro-4-methyl-1,3,5-trinitrobenzene?
The CAS number of 2-Chloro-4-methyl-1,3,5-trinitrobenzene is 7431-77-8.
What is the molecular formula of 2-Chloro-4-methyl-1,3,5-trinitrobenzene?
The molecular formula of 2-Chloro-4-methyl-1,3,5-trinitrobenzene is C7H4ClN3O6.
What is the molecular weight of 2-Chloro-4-methyl-1,3,5-trinitrobenzene?
The molecular weight of 2-Chloro-4-methyl-1,3,5-trinitrobenzene is 260.98 g/mol.
Where can I buy 2-Chloro-4-methyl-1,3,5-trinitrobenzene?
You can request a quote for 2-Chloro-4-methyl-1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-methyl-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-methyl-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.