1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene
TL;DR: 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene (CAS 19387-83-8) is a chemical compound with molecular formula C13H19Cl and molecular weight 210.11752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-(chloromethyl)-1,3-dimethylbenzene
Also Known As: 4-Tert-butyl-2,6-dimethylbenzylchloroide, Xylometazoline EP Impurity B, 5-tert-butyl-2-(chloromethyl)-1,3-dimethylbenzene, Benzene, 2-(chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethyl-, 5-tert-Butyl-2-chloromethyl-1,3-dimethyl-benzene
Technical Specifications
| Molecular Formula | C13H19Cl |
| Molecular Weight | 210.11752 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11752 Da |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
| SMILES | CC1=CC(=CC(=C1CCl)C)C(C)(C)C |
| InChIKey | SELSXVIZHNFFRV-UHFFFAOYSA-N |
Chemical Property Profile of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene
Property Insights of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene
The XLogP value of 4.7 indicates that 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene 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
What is the CAS number of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene?
The CAS number of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene is 19387-83-8.
What is the molecular formula of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene?
The molecular formula of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene is C13H19Cl.
What is the molecular weight of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene?
The molecular weight of 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene is 210.11752 g/mol.
Where can I buy 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene?
You can request a quote for 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.