三氯甲苯
TL;DR: 三氯甲苯 (CAS 98-07-7) is a chemical compound with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯甲苯
trichloromethylbenzene
Also Known As: BENZOTRICHLORIDE, (Trichloromethyl)benzene, Trichloromethylbenzene, Phenylchloroform, Toluene trichloride
| Molecular Formula | C7H5Cl3 |
|---|---|
| Molecular Weight | 193.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.94568 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | -5.0 °C |
| Boiling Point | 220.8 °C at 760 mmHg |
| Density | 1.3756 at 20.0 °C |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | 126.7 °C |
| Vapor Pressure | 1 to 10 mmHg at 114.44 to 87.6 °C |
| Refractive Index | 1.55789 AT 20 °C |
Chemical Identifiers
| CAS Number | 98-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(Cl)(Cl)Cl |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯甲苯 (CAS 98-07-7), with molecular formula C7H5Cl3 and molecular weight 193.95 g/mol. IUPAC: trichloromethylbenzene.
Chemical Property Profile of 三氯甲苯
Property Insights of 三氯甲苯
The XLogP value of 3.7 indicates that 三氯甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 三氯甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯甲苯 has 0 hydrogen bond donor(s) and 0 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 三氯甲苯?
The CAS number of 三氯甲苯 is 98-07-7.
What is the molecular formula of 三氯甲苯?
The molecular formula of 三氯甲苯 is C7H5Cl3.
What is the molecular weight of 三氯甲苯?
The molecular weight of 三氯甲苯 is 193.95 g/mol.
Where can I buy 三氯甲苯?
You can request a quote for 三氯甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯甲苯?
Yes, KEHONG BIO provides custom synthesis services for 三氯甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.