Benzene, 1,2,3-tris(trifluoromethyl)-
TL;DR: Benzene, 1,2,3-tris(trifluoromethyl)- (CAS 42175-48-4) is a chemical compound with molecular formula C9H3F9 and molecular weight 282.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-tris(trifluoromethyl)benzene
Also Known As: 1,2,3-tris(trifluoromethyl)benzene, Decansaeurebenzylester, Benzene, 1,2,3-tris(trifluoromethyl)-, 1,2,3-Tri(trifluoromethyl)benzene, 1,2,3-Tris(trifluoromethyl)benzene, contains 1,3,5-tris(trifluoromethyl)benzene, 90%
| Molecular Formula | C9H3F9 |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.0091 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 42175-48-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| InChIKey | RXJLQXXWAYTRIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3-tris(trifluoromethyl)- (CAS 42175-48-4), with molecular formula C9H3F9 and molecular weight 282.01 g/mol. IUPAC: 1,2,3-tris(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 1,2,3-tris(trifluoromethyl)-
Property Insights of Benzene, 1,2,3-tris(trifluoromethyl)-
The XLogP value of 4.6 indicates that Benzene, 1,2,3-tris(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,2,3-tris(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3-tris(trifluoromethyl)- has 0 hydrogen bond donor(s) and 9 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 Benzene, 1,2,3-tris(trifluoromethyl)-?
The CAS number of Benzene, 1,2,3-tris(trifluoromethyl)- is 42175-48-4.
What is the molecular formula of Benzene, 1,2,3-tris(trifluoromethyl)-?
The molecular formula of Benzene, 1,2,3-tris(trifluoromethyl)- is C9H3F9.
What is the molecular weight of Benzene, 1,2,3-tris(trifluoromethyl)-?
The molecular weight of Benzene, 1,2,3-tris(trifluoromethyl)- is 282.01 g/mol.
Where can I buy Benzene, 1,2,3-tris(trifluoromethyl)-?
You can request a quote for Benzene, 1,2,3-tris(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-tris(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-tris(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.