1-Chloro-2-(trifluoromethyl)benzene
TL;DR: 1-Chloro-2-(trifluoromethyl)benzene (CAS 88-16-4) is a chemical compound with molecular formula C7H4ClF3 and molecular weight 179.99536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(trifluoromethyl)benzene
Also Known As: 2-Chlorobenzotrifluoride, 1-Chloro-2-(trifluoromethyl)benzene, o-Chlorobenzotrifluoride, Chlorobenzotrifluoride, Pentenylbenzene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 179.99536 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99536 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Boiling Point | 152.2 °C @760 [mm Hg] |
| Density | 1.254 @ 30°C |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Cl |
| InChIKey | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-2-(trifluoromethyl)benzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-2-(trifluoromethyl)benzene (CAS 88-16-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 1-Chloro-2-(trifluoromethyl)benzene (CAS 88-16-4) has the molecular formula C7H4ClF3 and a molecular weight of 180 g/mol. Reported properties include a density of 1.254 @ 30°C g/cm³. It is also known as 2-Chlorobenzotrifluoride and 1-Chloro-2-(trifluoromethyl)benzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Chloro-2-(trifluoromethyl)benzene
Property Insights of 1-Chloro-2-(trifluoromethyl)benzene
The XLogP value of 3.5 indicates that 1-Chloro-2-(trifluoromethyl)benzene 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-Chloro-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(trifluoromethyl)benzene 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
What is the CAS number of 1-Chloro-2-(trifluoromethyl)benzene?
The CAS number of 1-Chloro-2-(trifluoromethyl)benzene is 88-16-4.
What is the molecular formula of 1-Chloro-2-(trifluoromethyl)benzene?
The molecular formula of 1-Chloro-2-(trifluoromethyl)benzene is C7H4ClF3.
What is the molecular weight of 1-Chloro-2-(trifluoromethyl)benzene?
The molecular weight of 1-Chloro-2-(trifluoromethyl)benzene is 179.99536 g/mol.
What are the applications of 1-Chloro-2-(trifluoromethyl)benzene?
1-Chloro-2-(trifluoromethyl)benzene is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem...
Where can I buy 1-Chloro-2-(trifluoromethyl)benzene?
You can request a quote for 1-Chloro-2-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.