2-Nitro-alpha,alpha,alpha-trifluorotoluene
TL;DR: 2-Nitro-alpha,alpha,alpha-trifluorotoluene (CAS 384-22-5) 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-2-(trifluoromethyl)benzene
Also Known As: 2-Nitrobenzotrifluoride, 1-Nitro-2-(trifluoromethyl)benzene, o-Nitrobenzotrifluoride, o-(Trifluoromethyl)nitrobenzene, Benzene, nitro(trifluoromethyl)-
Application Areas
Top 5 of 10 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 | 88 to 90 °F (NTP, 1992) |
| Boiling Point | 219 to 221 °F at 20 mmHg (NTP, 1992) |
| Flash Point | 204 °F (NTP, 1992) |
| Vapor Pressure | 0.14 [mmHg] |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | NDZJSUCUYPZXPR-UHFFFAOYSA-N |
Product Description
Applications: 2-Nitro-alpha,alpha,alpha-trifluorotoluene 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Nitro-alpha,alpha,alpha-trifluorotoluene (CAS 384-22-5) is a organic building block with the molecular formula C7H4F3NO2 and a molecular weight of 191.02 g/mol. Synonyms include 2-Nitrobenzotrifluoride and 1-Nitro-2-(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 2-Nitro-alpha,alpha,alpha-trifluorotoluene
Property Insights of 2-Nitro-alpha,alpha,alpha-trifluorotoluene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-alpha,alpha,alpha-trifluorotoluene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitro-alpha,alpha,alpha-trifluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-alpha,alpha,alpha-trifluorotoluene 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 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
The CAS number of 2-Nitro-alpha,alpha,alpha-trifluorotoluene is 384-22-5.
What is the molecular formula of 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
The molecular formula of 2-Nitro-alpha,alpha,alpha-trifluorotoluene is C7H4F3NO2.
What is the molecular weight of 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
The molecular weight of 2-Nitro-alpha,alpha,alpha-trifluorotoluene is 191.01941 g/mol.
What are the applications of 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
2-Nitro-alpha,alpha,alpha-trifluorotoluene 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. Available...
Where can I buy 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
You can request a quote for 2-Nitro-alpha,alpha,alpha-trifluorotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-alpha,alpha,alpha-trifluorotoluene?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-alpha,alpha,alpha-trifluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.