Benzene, 1-chloro-2-(1-methylethyl)-
TL;DR: Benzene, 1-chloro-2-(1-methylethyl)- (CAS 2077-13-6) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-propan-2-ylbenzene
Also Known As: o-Chlorocumene, 2-Chlorocumene, chlorocumene, 1-Chloro-2-(propan-2-yl)benzene, Cumene, o-chloro-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11Cl |
| Molecular Weight | 154.05493 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.05493 Da |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
| SMILES | CC(C)C1=CC=CC=C1Cl |
| InChIKey | RNEMUWDQJSRDMQ-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-chloro-2-(1-methylethyl)-
Property Insights of Benzene, 1-chloro-2-(1-methylethyl)-
The XLogP value of 3.9 indicates that Benzene, 1-chloro-2-(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-chloro-2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-2-(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
What is the CAS number of Benzene, 1-chloro-2-(1-methylethyl)-?
The CAS number of Benzene, 1-chloro-2-(1-methylethyl)- is 2077-13-6.
What is the molecular formula of Benzene, 1-chloro-2-(1-methylethyl)-?
The molecular formula of Benzene, 1-chloro-2-(1-methylethyl)- is C9H11Cl.
What is the molecular weight of Benzene, 1-chloro-2-(1-methylethyl)-?
The molecular weight of Benzene, 1-chloro-2-(1-methylethyl)- is 154.05493 g/mol.
Where can I buy Benzene, 1-chloro-2-(1-methylethyl)-?
You can request a quote for Benzene, 1-chloro-2-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-chloro-2-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-chloro-2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.