1-Chloro-3-fluoro-2-(trichloromethyl)benzene
TL;DR: 1-Chloro-3-fluoro-2-(trichloromethyl)benzene (CAS 84475-45-6) is a chemical compound with molecular formula C7H3Cl4F and molecular weight 245.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-fluoro-2-(trichloromethyl)benzene
Also Known As: 2-Chloro-6-fluorobenzotrichloride, 1-Chloro-3-fluoro-2-(trichloromethyl)benzene, EINECS 282-938-2, N-methyl-3-phenylmethoxybenzamide, ISO-METHYLTETRAHYDROIONYLACETATE
| Molecular Formula | C7H3Cl4F |
|---|---|
| Molecular Weight | 245.90 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.8973 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 84475-45-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(Cl)(Cl)Cl)F |
| InChIKey | PNAGDDZKFJHOOK-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-fluoro-2-(trichloromethyl)benzene (CAS 84475-45-6), with molecular formula C7H3Cl4F and molecular weight 245.90 g/mol. IUPAC: 1-chloro-3-fluoro-2-(trichloromethyl)benzene.
Chemical Property Profile of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene
Property Insights of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene
The XLogP value of 4.3 indicates that 1-Chloro-3-fluoro-2-(trichloromethyl)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, 1-Chloro-3-fluoro-2-(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-fluoro-2-(trichloromethyl)benzene 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-Chloro-3-fluoro-2-(trichloromethyl)benzene?
The CAS number of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene is 84475-45-6.
What is the molecular formula of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene?
The molecular formula of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene is C7H3Cl4F.
What is the molecular weight of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene?
The molecular weight of 1-Chloro-3-fluoro-2-(trichloromethyl)benzene is 245.90 g/mol.
Where can I buy 1-Chloro-3-fluoro-2-(trichloromethyl)benzene?
You can request a quote for 1-Chloro-3-fluoro-2-(trichloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-fluoro-2-(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-fluoro-2-(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.