(Trifluoromethyl)benzene
TL;DR: (Trifluoromethyl)benzene (CAS 98-08-8) is a chemical compound with molecular formula C7H5F3 and molecular weight 146.03433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trifluoromethylbenzene
Also Known As: BENZOTRIFLUORIDE, (Trifluoromethyl)benzene, Trifluoromethylbenzene, Phenylfluoroform, Benzylidyne fluoride
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3 |
| Molecular Weight | 146.03433 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.03433 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | -20.4 °F (NTP, 1992) |
| Boiling Point | 208 to 210 °F at 760 mmHg (NTP, 1992) |
| Density | 1.1812 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 54 °F (NTP, 1992) |
| Vapor Pressure | 11 mmHg at 32 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.41486 @ 13.3 °C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | GETTZEONDQJALK-UHFFFAOYSA-N |
Product Description
Applications: (Trifluoromethyl)benzene 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 (Trifluoromethyl)benzene (CAS 98-08-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
(Trifluoromethyl)benzene is a organic building block identified by CAS number 98-08-8 and the molecular formula C7H5F3 and a molecular weight of 146.03 g/mol. Physically, the compound has a density of 1.1812 at 77 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as BENZOTRIFLUORIDE and (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 (Trifluoromethyl)benzene
Property Insights of (Trifluoromethyl)benzene
The XLogP value of 3.0 indicates that (Trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (Trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Trifluoromethyl)benzene?
The CAS number of (Trifluoromethyl)benzene is 98-08-8.
What is the molecular formula of (Trifluoromethyl)benzene?
The molecular formula of (Trifluoromethyl)benzene is C7H5F3.
What is the molecular weight of (Trifluoromethyl)benzene?
The molecular weight of (Trifluoromethyl)benzene is 146.03433 g/mol.
What are the applications of (Trifluoromethyl)benzene?
(Trifluoromethyl)benzene 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 (Trifluoromethyl)benzene?
You can request a quote for (Trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for (Trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.