三氟甲苯
TL;DR: 三氟甲苯 (CAS 98-08-8) is a chemical compound with molecular formula C7H5F3 and molecular weight 146.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲苯
trifluoromethylbenzene
Also Known As: BENZOTRIFLUORIDE, (Trifluoromethyl)benzene, Trifluoromethylbenzene, Phenylfluoroform, Benzylidyne fluoride
| Molecular Formula | C7H5F3 |
|---|---|
| Molecular Weight | 146.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.03433 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | -29.1 °C |
| Boiling Point | 208 to 98.9 °C at 760 mmHg |
| Density | 1.1812 at 25.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 12.2 °C |
| Vapor Pressure | 11 mmHg at 0.0 °C |
| Refractive Index | 1.41486 @ 13.3 °C |
Chemical Identifiers
| CAS Number | 98-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | GETTZEONDQJALK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟甲苯 (CAS 98-08-8), with molecular formula C7H5F3 and molecular weight 146.03 g/mol. IUPAC: trifluoromethylbenzene.
Chemical Property Profile of 三氟甲苯
Property Insights of 三氟甲苯
The XLogP value of 3.0 indicates that 三氟甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 三氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟甲苯 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
Frequently Asked Questions
What is the CAS number of 三氟甲苯?
The CAS number of 三氟甲苯 is 98-08-8.
What is the molecular formula of 三氟甲苯?
The molecular formula of 三氟甲苯 is C7H5F3.
What is the molecular weight of 三氟甲苯?
The molecular weight of 三氟甲苯 is 146.03 g/mol.
Where can I buy 三氟甲苯?
You can request a quote for 三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.