3-Chlorobenzotrifluoride
TL;DR: 3-Chlorobenzotrifluoride (CAS 98-15-7) is a chemical compound with molecular formula C7H4ClF3 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(trifluoromethyl)benzene
Also Known As: 3-Chlorobenzotrifluoride, 1-Chloro-3-(trifluoromethyl)benzene, M-CHLOROBENZOTRIFLUORIDE, 3-chlorotrifluoromethylbenzene, 3-chlorotrifluorotoluene
| Molecular Formula | C7H4ClF3 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99536 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Flash Point | 47.2 °C (NFPA, 2010) |
Chemical Identifiers
| CAS Number | 98-15-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(F)(F)F |
| InChIKey | YTCGOUNVIAWCMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorobenzotrifluoride (CAS 98-15-7), with molecular formula C7H4ClF3 and molecular weight 180.00 g/mol. IUPAC: 1-chloro-3-(trifluoromethyl)benzene.
Chemical Property Profile of 3-Chlorobenzotrifluoride
Property Insights of 3-Chlorobenzotrifluoride
The XLogP value of 3.9 indicates that 3-Chlorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chlorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzotrifluoride 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 3-Chlorobenzotrifluoride?
The CAS number of 3-Chlorobenzotrifluoride is 98-15-7.
What is the molecular formula of 3-Chlorobenzotrifluoride?
The molecular formula of 3-Chlorobenzotrifluoride is C7H4ClF3.
What is the molecular weight of 3-Chlorobenzotrifluoride?
The molecular weight of 3-Chlorobenzotrifluoride is 180.00 g/mol.
Where can I buy 3-Chlorobenzotrifluoride?
You can request a quote for 3-Chlorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.