间氯代二甲苯
TL;DR: 间氯代二甲苯 (CAS 620-19-9) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间氯代二甲苯
1-(chloromethyl)-3-methylbenzene
Also Known As: 3-Methylbenzyl chloride, 1-(chloromethyl)-3-methylbenzene, m-Xylyl chloride, m-Methylbenzyl chloride, 3-Methylbenzylchloride
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 620-19-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CCl |
| InChIKey | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间氯代二甲苯 (CAS 620-19-9), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-(chloromethyl)-3-methylbenzene.
Chemical Property Profile of 间氯代二甲苯
Property Insights of 间氯代二甲苯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间氯代二甲苯. With a topological polar surface area (TPSA) of 0.0 Ų, 间氯代二甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间氯代二甲苯 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 间氯代二甲苯?
The CAS number of 间氯代二甲苯 is 620-19-9.
What is the molecular formula of 间氯代二甲苯?
The molecular formula of 间氯代二甲苯 is C8H9Cl.
What is the molecular weight of 间氯代二甲苯?
The molecular weight of 间氯代二甲苯 is 140.04 g/mol.
Where can I buy 间氯代二甲苯?
You can request a quote for 间氯代二甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间氯代二甲苯?
Yes, KEHONG BIO provides custom synthesis services for 间氯代二甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.