3,4-Dichlorobenzotrifluoride
TL;DR: 3,4-Dichlorobenzotrifluoride (CAS 328-84-7) is a chemical compound with molecular formula C7H3Cl2F3 and molecular weight 213.95639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-4-(trifluoromethyl)benzene
Also Known As: 3,4-DICHLOROBENZOTRIFLUORIDE, 1,2-Dichloro-4-(trifluoromethyl)benzene, 5-Isopropyl-m-xylene, Benzene, 1,2-dichloro-4-(trifluoromethyl)-, 3,4-DCBTE
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl2F3 |
| Molecular Weight | 213.95639 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.95639 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| Melting Point | -13 to -12 °C |
| Boiling Point | 173-174 °C |
| Density | 1.478 |
| Flash Point | [ChemIDplus] 65 °C |
| Vapor Pressure | 2.36 [mmHg] |
| Refractive Index | Index of refraction (for sodium D line @ 20 °C) = 1.4750 |
| Solubility | Soluble in petroleum ether and acetonitrile. |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)Cl |
| InChIKey | XILPLWOGHPSJBK-UHFFFAOYSA-N |
Product Description
Applications: 3,4-Dichlorobenzotrifluoride 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 3,4-Dichlorobenzotrifluoride (CAS 328-84-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,4-Dichlorobenzotrifluoride is a organic building block identified by CAS number 328-84-7 and the molecular formula C7H3Cl2F3 and a molecular weight of 213.96 g/mol. Physically, the compound has a density of 1.478 g/cm³, a solubility: Soluble in petroleum ether and acetonitrile. It is also known as 3,4-DICHLOROBENZOTRIFLUORIDE and 1,2-Dichloro-4-(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 3,4-Dichlorobenzotrifluoride
Property Insights of 3,4-Dichlorobenzotrifluoride
The XLogP value of 4.4 indicates that 3,4-Dichlorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dichlorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzotrifluoride 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 3,4-Dichlorobenzotrifluoride?
The CAS number of 3,4-Dichlorobenzotrifluoride is 328-84-7.
What is the molecular formula of 3,4-Dichlorobenzotrifluoride?
The molecular formula of 3,4-Dichlorobenzotrifluoride is C7H3Cl2F3.
What is the molecular weight of 3,4-Dichlorobenzotrifluoride?
The molecular weight of 3,4-Dichlorobenzotrifluoride is 213.95639 g/mol.
What are the applications of 3,4-Dichlorobenzotrifluoride?
3,4-Dichlorobenzotrifluoride 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...
Where can I buy 3,4-Dichlorobenzotrifluoride?
You can request a quote for 3,4-Dichlorobenzotrifluoride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorobenzotrifluoride?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.