m-(Trifluoromethyl)nitrobenzene
TL;DR: m-(Trifluoromethyl)nitrobenzene (CAS 98-46-4) is a chemical compound with molecular formula C7H4F3NO2 and molecular weight 191.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-3-(trifluoromethyl)benzene
Also Known As: 3-Nitrobenzotrifluoride, 1-Nitro-3-(trifluoromethyl)benzene, m-Nitrobenzotrifluoride, m-Nitrotrifluorotoluene, m-Nitrotrifluortoluol
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4F3NO2 |
| Molecular Weight | 191.01941 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.01941 Da |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
| Melting Point | 27.7 °F (NTP, 1992) |
| Boiling Point | 397 °F at 760 mmHg (NTP, 1992) |
| Density | 1.437 at 59.9 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 214 °F (NTP, 1992) |
| Vapor Pressure | 0.25 [mmHg] |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
Product Description
Applications: m-(Trifluoromethyl)nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies m-(Trifluoromethyl)nitrobenzene (CAS 98-46-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
m-(Trifluoromethyl)nitrobenzene (CAS 98-46-4) is a organic building block with the molecular formula C7H4F3NO2 and a molecular weight of 191.02 g/mol. Key physical properties include a density of 1.437 at 59.9 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). It is also known as 3-Nitrobenzotrifluoride and 1-Nitro-3-(trifluoromethyl)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of m-(Trifluoromethyl)nitrobenzene
Property Insights of m-(Trifluoromethyl)nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(Trifluoromethyl)nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, m-(Trifluoromethyl)nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-(Trifluoromethyl)nitrobenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of m-(Trifluoromethyl)nitrobenzene?
The CAS number of m-(Trifluoromethyl)nitrobenzene is 98-46-4.
What is the molecular formula of m-(Trifluoromethyl)nitrobenzene?
The molecular formula of m-(Trifluoromethyl)nitrobenzene is C7H4F3NO2.
What is the molecular weight of m-(Trifluoromethyl)nitrobenzene?
The molecular weight of m-(Trifluoromethyl)nitrobenzene is 191.01941 g/mol.
What are the applications of m-(Trifluoromethyl)nitrobenzene?
m-(Trifluoromethyl)nitrobenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy m-(Trifluoromethyl)nitrobenzene?
You can request a quote for m-(Trifluoromethyl)nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-(Trifluoromethyl)nitrobenzene?
Yes, CoreyChem provides custom synthesis services for m-(Trifluoromethyl)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.