對氯三氟甲苯
TL;DR: 對氯三氟甲苯 (CAS 98-56-6) 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.
對氯三氟甲苯
1-chloro-4-(trifluoromethyl)benzene
Also Known As: 4-Chlorobenzotrifluoride, p-Chlorobenzotrifluoride, 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE, PCBTF, para-Chlorobenzotrifluoride
| Molecular Formula | C7H4ClF3 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 3.8 |
| 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 | 124.0 |
| Melting Point | -36.1 °C |
| Boiling Point | 277 to 137.8 °C at 760 mmHg |
| Density | 1.34 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 47.2 °C |
| Vapor Pressure | 1 mmHg at 0.0 °C ; 5 mmHg at 24.7 °C |
| Refractive Index | = 1.4431 at 30 °C |
Chemical Identifiers
| CAS Number | 98-56-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)Cl |
| InChIKey | QULYNCCPRWKEMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
對氯三氟甲苯 (CAS 98-56-6), with molecular formula C7H4ClF3 and molecular weight 180.00 g/mol. IUPAC: 1-chloro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 對氯三氟甲苯
Property Insights of 對氯三氟甲苯
The XLogP value of 3.8 indicates that 對氯三氟甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 對氯三氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 對氯三氟甲苯 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 對氯三氟甲苯?
The CAS number of 對氯三氟甲苯 is 98-56-6.
What is the molecular formula of 對氯三氟甲苯?
The molecular formula of 對氯三氟甲苯 is C7H4ClF3.
What is the molecular weight of 對氯三氟甲苯?
The molecular weight of 對氯三氟甲苯 is 180.00 g/mol.
Where can I buy 對氯三氟甲苯?
You can request a quote for 對氯三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 對氯三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 對氯三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.