3,5-Dimethylchlorobenzene
TL;DR: 3,5-Dimethylchlorobenzene (CAS 556-97-8) 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.
1-chloro-3,5-dimethylbenzene
Also Known As: 5-Chloro-m-xylene, 1-chloro-3,5-dimethylbenzene, 3,5-Dimethylchlorobenzene, 5-Chloro-1,3-xylene, MXYLENE5chloro
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 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 | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 556-97-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)Cl)C |
| InChIKey | FKKLHLZFSZGXBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethylchlorobenzene (CAS 556-97-8), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-chloro-3,5-dimethylbenzene.
Chemical Property Profile of 3,5-Dimethylchlorobenzene
Property Insights of 3,5-Dimethylchlorobenzene
The XLogP value of 3.3 indicates that 3,5-Dimethylchlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Dimethylchlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylchlorobenzene 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 3,5-Dimethylchlorobenzene?
The CAS number of 3,5-Dimethylchlorobenzene is 556-97-8.
What is the molecular formula of 3,5-Dimethylchlorobenzene?
The molecular formula of 3,5-Dimethylchlorobenzene is C8H9Cl.
What is the molecular weight of 3,5-Dimethylchlorobenzene?
The molecular weight of 3,5-Dimethylchlorobenzene is 140.04 g/mol.
Where can I buy 3,5-Dimethylchlorobenzene?
You can request a quote for 3,5-Dimethylchlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylchlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylchlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.