1,2-Dichloro-3,4,5-trifluorobenzene
TL;DR: 1,2-Dichloro-3,4,5-trifluorobenzene (CAS 35047-59-7) is a chemical compound with molecular formula C6HCl2F3 and molecular weight 199.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-3,4,5-trifluorobenzene
Also Known As: Benzene, dichlorotrifluoro-, 1,2-dichloro-3,4,5-trifluorobenzene, 1,2-dichloro-3,4,5-trifluoro-benzene, Benzene,dichlorotrifluoro- (6CI,7CI,8CI,9CI), BRN/REAXYS 8833513
| Molecular Formula | C6HCl2F3 |
|---|---|
| Molecular Weight | 199.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.94073 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 35047-59-7 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)F)F)F |
| InChIKey | CTRGSLIFGHNENA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-3,4,5-trifluorobenzene (CAS 35047-59-7), with molecular formula C6HCl2F3 and molecular weight 199.94 g/mol. IUPAC: 1,2-dichloro-3,4,5-trifluorobenzene.
Chemical Property Profile of 1,2-Dichloro-3,4,5-trifluorobenzene
Property Insights of 1,2-Dichloro-3,4,5-trifluorobenzene
The XLogP value of 3.5 indicates that 1,2-Dichloro-3,4,5-trifluorobenzene 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-Dichloro-3,4,5-trifluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-3,4,5-trifluorobenzene 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 1,2-Dichloro-3,4,5-trifluorobenzene?
The CAS number of 1,2-Dichloro-3,4,5-trifluorobenzene is 35047-59-7.
What is the molecular formula of 1,2-Dichloro-3,4,5-trifluorobenzene?
The molecular formula of 1,2-Dichloro-3,4,5-trifluorobenzene is C6HCl2F3.
What is the molecular weight of 1,2-Dichloro-3,4,5-trifluorobenzene?
The molecular weight of 1,2-Dichloro-3,4,5-trifluorobenzene is 199.94 g/mol.
Where can I buy 1,2-Dichloro-3,4,5-trifluorobenzene?
You can request a quote for 1,2-Dichloro-3,4,5-trifluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-3,4,5-trifluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-3,4,5-trifluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.