Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
TL;DR: Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- (CAS 76006-33-2) is a chemical compound with molecular formula C7H3ClF4 and molecular weight 197.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-fluoro-4-(trifluoromethyl)benzene
Also Known As: 3-Chloro-4-fluorobenzotrifluoride, 2-chloro-1-fluoro-4-(trifluoromethyl)benzene, 3-Cholor-4-fluorobenzo-trifluoride, 3-chloro-4-fluoro benzotrifluoride, 3-Bromo-2-methylbenzoic acid
| Molecular Formula | C7H3ClF4 |
|---|---|
| Molecular Weight | 197.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.98595 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 76006-33-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)F |
| InChIKey | BKHVEYHSOXVAOP-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-fluoro-4-(trifluoromethyl)- (CAS 76006-33-2), with molecular formula C7H3ClF4 and molecular weight 197.99 g/mol. IUPAC: 2-chloro-1-fluoro-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
Property Insights of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
The XLogP value of 3.5 indicates that Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 4 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-fluoro-4-(trifluoromethyl)-?
The CAS number of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- is 76006-33-2.
What is the molecular formula of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-?
The molecular formula of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- is C7H3ClF4.
What is the molecular weight of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-?
The molecular weight of Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- is 197.99 g/mol.
Where can I buy Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-?
You can request a quote for Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- 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-fluoro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.