2-Chloro-5-(trifluoromethyl)benzaldehyde
TL;DR: 2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS 82387-91-5) is a chemical compound with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(trifluoromethyl)benzaldehyde
Also Known As: 2-Chloro-5-(trifluoromethyl)benzaldehyde, 2-chloro-5-trifluoromethylbenzaldehyde, null, 1-(2,6-Difluorophenyl)ethanone, TIMTEC-BB SBB003466
| Molecular Formula | C8H4ClF3O |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.99028 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 82387-91-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C=O)Cl |
| InChIKey | OZZOJJJYKYKBNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-(trifluoromethyl)benzaldehyde (CAS 82387-91-5), with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol. IUPAC: 2-chloro-5-(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 2-Chloro-5-(trifluoromethyl)benzaldehyde
Property Insights of 2-Chloro-5-(trifluoromethyl)benzaldehyde
The XLogP value of 3.2 indicates that 2-Chloro-5-(trifluoromethyl)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-5-(trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(trifluoromethyl)benzaldehyde 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 2-Chloro-5-(trifluoromethyl)benzaldehyde?
The CAS number of 2-Chloro-5-(trifluoromethyl)benzaldehyde is 82387-91-5.
What is the molecular formula of 2-Chloro-5-(trifluoromethyl)benzaldehyde?
The molecular formula of 2-Chloro-5-(trifluoromethyl)benzaldehyde is C8H4ClF3O.
What is the molecular weight of 2-Chloro-5-(trifluoromethyl)benzaldehyde?
The molecular weight of 2-Chloro-5-(trifluoromethyl)benzaldehyde is 207.99 g/mol.
Where can I buy 2-Chloro-5-(trifluoromethyl)benzaldehyde?
You can request a quote for 2-Chloro-5-(trifluoromethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(trifluoromethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(trifluoromethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.