(1-Chloro-1-methylethyl)benzene
TL;DR: (1-Chloro-1-methylethyl)benzene (CAS 934-53-2) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloropropan-2-ylbenzene
Also Known As: cumyl chloride, (1-Chloro-1-methylethyl)benzene, (2-chloropropan-2-yl)benzene, cumylchloride, alpha,alpha-Dimethylbenzyl chloride
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 934-53-2 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)Cl |
| InChIKey | KPJKMUJJFXZGAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Chloro-1-methylethyl)benzene (CAS 934-53-2), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 2-chloropropan-2-ylbenzene.
Chemical Property Profile of (1-Chloro-1-methylethyl)benzene
Property Insights of (1-Chloro-1-methylethyl)benzene
The XLogP value of 3.1 indicates that (1-Chloro-1-methylethyl)benzene 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-Chloro-1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chloro-1-methylethyl)benzene 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 (1-Chloro-1-methylethyl)benzene?
The CAS number of (1-Chloro-1-methylethyl)benzene is 934-53-2.
What is the molecular formula of (1-Chloro-1-methylethyl)benzene?
The molecular formula of (1-Chloro-1-methylethyl)benzene is C9H11Cl.
What is the molecular weight of (1-Chloro-1-methylethyl)benzene?
The molecular weight of (1-Chloro-1-methylethyl)benzene is 154.05 g/mol.
Where can I buy (1-Chloro-1-methylethyl)benzene?
You can request a quote for (1-Chloro-1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chloro-1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Chloro-1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.