![Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] structure](/static/products/1401/14010-96-9.webp)
Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]
TL;DR: Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] (CAS 14010-96-9) 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-(1-chloro-2-methylpropan-2-yl)-4-methylbenzene
Also Known As: p-methylneophyl chloride, 2-methyl-2-(p-tolyl)-propyl chloride, 1-(1-chloro-2-methylpropan-2-yl)-4-methylbenzene, 2-methyl-2 (para-tolyl)propyl chloride, Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]
| 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 | 132.0 |
Chemical Identifiers
| CAS Number | 14010-96-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C)CCl |
| InChIKey | IGNSPHANIMKLJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] (CAS 14010-96-9), with molecular formula C11H15Cl and molecular weight 182.09 g/mol. IUPAC: 1-(1-chloro-2-methylpropan-2-yl)-4-methylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]
Property Insights of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]
The XLogP value of 4.0 indicates that Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] 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-methyl-4-[1-(chloromethyl)-1-methylethyl] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] 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-methyl-4-[1-(chloromethyl)-1-methylethyl]?
The CAS number of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] is 14010-96-9.
What is the molecular formula of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]?
The molecular formula of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] is C11H15Cl.
What is the molecular weight of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]?
The molecular weight of Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] is 182.09 g/mol.
Where can I buy Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]?
You can request a quote for Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl]?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.