4-氯甲苯
TL;DR: 4-氯甲苯 (CAS 106-43-4) is a chemical compound with molecular formula C7H7Cl and molecular weight 126.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯甲苯
1-chloro-4-methylbenzene
Also Known As: 4-Chlorotoluene, P-CHLOROTOLUENE, 1-Chloro-4-methylbenzene, p-Tolyl chloride, Toluene, p-chloro-
| Molecular Formula | C7H7Cl |
|---|---|
| Molecular Weight | 126.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02363 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 7.5 °C |
| Boiling Point | 162.4 °C |
| Density | 1.0697 @ 20 °C |
| Solubility | SOL IN ALCOHOL, BENZENE |
| Flash Point | 49 °C |
| Vapor Pressure | 2.69 [mmHg] |
| Refractive Index | 1.5150 @ 20 °C |
Chemical Identifiers
| CAS Number | 106-43-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)Cl |
| InChIKey | NPDACUSDTOMAMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯甲苯 (CAS 106-43-4), with molecular formula C7H7Cl and molecular weight 126.02 g/mol. IUPAC: 1-chloro-4-methylbenzene.
Chemical Property Profile of 4-氯甲苯
Property Insights of 4-氯甲苯
The XLogP value of 3.3 indicates that 4-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, 4-氯甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-氯甲苯?
The CAS number of 4-氯甲苯 is 106-43-4.
What is the molecular formula of 4-氯甲苯?
The molecular formula of 4-氯甲苯 is C7H7Cl.
What is the molecular weight of 4-氯甲苯?
The molecular weight of 4-氯甲苯 is 126.02 g/mol.
Where can I buy 4-氯甲苯?
You can request a quote for 4-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 4-氯甲苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.