2-Methyl-5-nitrobenzotrifluoride
TL;DR: 2-Methyl-5-nitrobenzotrifluoride (CAS 89976-12-5) is a chemical compound with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-2-(trifluoromethyl)benzene
Also Known As: 2-Methyl-5-nitrobenzotrifluoride, 1-methyl-4-nitro-2-(trifluoromethyl)benzene, 2-(trifluoromethyl)-4-nitrotoluene, 4-Nitro-2-(trifluoromethyl)toluene, 4-nitro-2-trifluorotoluene
| Molecular Formula | C8H6F3NO2 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 2.92202 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03506 |
| Heavy Atoms | 14 |
| Complexity | 373.33942 |
Chemical Identifiers
| CAS Number | 89976-12-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-Methyl-5-nitrobenzotrifluoride (CAS 89976-12-5), with molecular formula C8H6F3NO2 and molecular weight 205.04 g/mol. IUPAC: 1-methyl-4-nitro-2-(trifluoromethyl)benzene.
Chemical Property Profile of 2-Methyl-5-nitrobenzotrifluoride
Property Insights of 2-Methyl-5-nitrobenzotrifluoride
The XLogP value of 2.92202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrobenzotrifluoride. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Methyl-5-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzotrifluoride 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 2-Methyl-5-nitrobenzotrifluoride?
The CAS number of 2-Methyl-5-nitrobenzotrifluoride is 89976-12-5.
What is the molecular formula of 2-Methyl-5-nitrobenzotrifluoride?
The molecular formula of 2-Methyl-5-nitrobenzotrifluoride is C8H6F3NO2.
What is the molecular weight of 2-Methyl-5-nitrobenzotrifluoride?
The molecular weight of 2-Methyl-5-nitrobenzotrifluoride is 205.04 g/mol.
Where can I buy 2-Methyl-5-nitrobenzotrifluoride?
You can request a quote for 2-Methyl-5-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.