1,2,4-Trichloro-5-fluorobenzene
TL;DR: 1,2,4-Trichloro-5-fluorobenzene (CAS 400-04-4) is a chemical compound with molecular formula C6H2Cl3F and molecular weight 197.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-fluorobenzene
Also Known As: 1,2,4-Trichloro-5-fluorobenzene, 2,4,5-Trichlorofluorobenzene, 1,2,4-trichloro-5-fluoro-benzene, Benzene, 1,2,4-trichloro-5-fluoro-, Benzene,1,2,4-trichloro-5-fluoro
| Molecular Formula | C6H2Cl3F |
|---|---|
| Molecular Weight | 197.92 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.92061 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 400-04-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)F |
| InChIKey | BPLBJDXWALACBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Trichloro-5-fluorobenzene (CAS 400-04-4), with molecular formula C6H2Cl3F and molecular weight 197.92 g/mol. IUPAC: 1,2,4-trichloro-5-fluorobenzene.
Chemical Property Profile of 1,2,4-Trichloro-5-fluorobenzene
Property Insights of 1,2,4-Trichloro-5-fluorobenzene
The XLogP value of 3.9 indicates that 1,2,4-Trichloro-5-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Trichloro-5-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-5-fluorobenzene has 0 hydrogen bond donor(s) and 1 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 1,2,4-Trichloro-5-fluorobenzene?
The CAS number of 1,2,4-Trichloro-5-fluorobenzene is 400-04-4.
What is the molecular formula of 1,2,4-Trichloro-5-fluorobenzene?
The molecular formula of 1,2,4-Trichloro-5-fluorobenzene is C6H2Cl3F.
What is the molecular weight of 1,2,4-Trichloro-5-fluorobenzene?
The molecular weight of 1,2,4-Trichloro-5-fluorobenzene is 197.92 g/mol.
Where can I buy 1,2,4-Trichloro-5-fluorobenzene?
You can request a quote for 1,2,4-Trichloro-5-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-5-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-5-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.