1-Chloro-2-(dichloromethyl)-3-fluorobenzene
TL;DR: 1-Chloro-2-(dichloromethyl)-3-fluorobenzene (CAS 62476-62-4) is a chemical compound with molecular formula C7H4Cl3F and molecular weight 211.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(dichloromethyl)-3-fluorobenzene
Also Known As: 1-Chloro-2-(dichloromethyl)-3-fluorobenzene, 2-Chloro-6-fluorobenzal chloride, ALPHA,ALPHA,2-TRICHLORO-6-FLUOROTOLUENE, EINECS 263-562-8, a,a,2-Trichloro-6-fluorotoluene
| Molecular Formula | C7H4Cl3F |
|---|---|
| Molecular Weight | 211.94 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.93626 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 62476-62-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(Cl)Cl)F |
| InChIKey | LQIXIKRJISFVEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-(dichloromethyl)-3-fluorobenzene (CAS 62476-62-4), with molecular formula C7H4Cl3F and molecular weight 211.94 g/mol. IUPAC: 1-chloro-2-(dichloromethyl)-3-fluorobenzene.
Chemical Property Profile of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene
Property Insights of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene
The XLogP value of 3.8 indicates that 1-Chloro-2-(dichloromethyl)-3-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-Chloro-2-(dichloromethyl)-3-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(dichloromethyl)-3-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-Chloro-2-(dichloromethyl)-3-fluorobenzene?
The CAS number of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene is 62476-62-4.
What is the molecular formula of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene?
The molecular formula of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene is C7H4Cl3F.
What is the molecular weight of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene?
The molecular weight of 1-Chloro-2-(dichloromethyl)-3-fluorobenzene is 211.94 g/mol.
Where can I buy 1-Chloro-2-(dichloromethyl)-3-fluorobenzene?
You can request a quote for 1-Chloro-2-(dichloromethyl)-3-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-(dichloromethyl)-3-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(dichloromethyl)-3-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.