Benzene, 2-chloro-1,3,4-trifluoro-
TL;DR: Benzene, 2-chloro-1,3,4-trifluoro- (CAS 39153-73-6) is a chemical compound with molecular formula C6H2ClF3 and molecular weight 165.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,4-trifluorobenzene
Also Known As: 2-chloro-1,3,4-trifluorobenzene, Benzene, 2-chloro-1,3,4-trifluoro-, 1-Chloro-2,3,6-trifluorobenzene, 2,3,6-Trifluorochlorobenzene, Benzene,2-chloro-1,3,4-trifluoro-
| Molecular Formula | C6H2ClF3 |
|---|---|
| Molecular Weight | 165.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.9797 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 39153-73-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1F)F)Cl)F |
| InChIKey | LAHJDOYPEPWPFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-chloro-1,3,4-trifluoro- (CAS 39153-73-6), with molecular formula C6H2ClF3 and molecular weight 165.98 g/mol. IUPAC: 2-chloro-1,3,4-trifluorobenzene.
Chemical Property Profile of Benzene, 2-chloro-1,3,4-trifluoro-
Property Insights of Benzene, 2-chloro-1,3,4-trifluoro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2-chloro-1,3,4-trifluoro-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-chloro-1,3,4-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-chloro-1,3,4-trifluoro- 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 Benzene, 2-chloro-1,3,4-trifluoro-?
The CAS number of Benzene, 2-chloro-1,3,4-trifluoro- is 39153-73-6.
What is the molecular formula of Benzene, 2-chloro-1,3,4-trifluoro-?
The molecular formula of Benzene, 2-chloro-1,3,4-trifluoro- is C6H2ClF3.
What is the molecular weight of Benzene, 2-chloro-1,3,4-trifluoro-?
The molecular weight of Benzene, 2-chloro-1,3,4-trifluoro- is 165.98 g/mol.
Where can I buy Benzene, 2-chloro-1,3,4-trifluoro-?
You can request a quote for Benzene, 2-chloro-1,3,4-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-chloro-1,3,4-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-1,3,4-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.