Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-
TL;DR: Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- (CAS 56240-38-1) is a chemical compound with molecular formula C11H15Cl and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-(chloromethyl)benzene
Also Known As: 2-tert-Butylbenzyl chloride, 1-tert-butyl-2-(chloromethyl)benzene, o-tert-Butylbenzylchloride, o-t-Butylbenzylchlorid, o-tert-Butyl-a-chlorotoluene
| Molecular Formula | C11H15Cl |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.08623 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 56240-38-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1CCl |
| InChIKey | FCNALCYSVKFCNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- (CAS 56240-38-1), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-tert-butyl-2-(chloromethyl)benzene.
Chemical Property Profile of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-
Property Insights of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-
The XLogP value of 4.0 indicates that Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- 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 Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-?
The CAS number of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- is 56240-38-1.
What is the molecular formula of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-?
The molecular formula of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- is C11H15Cl.
What is the molecular weight of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-?
The molecular weight of Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- is 182.09 g/mol.
Where can I buy Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-?
You can request a quote for Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.