(2-Chloropropyl)benzene
TL;DR: (2-Chloropropyl)benzene (CAS 110750-62-4) 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.
2-chloropropylbenzene
Also Known As: (2-Chloropropyl)benzene, 2-chloropropylbenzene, Benzene, (2-chloropropyl)-, 1-Phenyl-2-chloropropane, 2-Chloro-1-phenylpropane
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11Cl |
| Molecular Weight | 154.05493 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.05493 Da |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
| SMILES | CC(CC1=CC=CC=C1)Cl |
| InChIKey | CKWAHIDVXZGPES-UHFFFAOYSA-N |
Chemical Property Profile of (2-Chloropropyl)benzene
Property Insights of (2-Chloropropyl)benzene
The XLogP value of 3.2 indicates that (2-Chloropropyl)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, (2-Chloropropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloropropyl)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
What is the CAS number of (2-Chloropropyl)benzene?
The CAS number of (2-Chloropropyl)benzene is 110750-62-4.
What is the molecular formula of (2-Chloropropyl)benzene?
The molecular formula of (2-Chloropropyl)benzene is C9H11Cl.
What is the molecular weight of (2-Chloropropyl)benzene?
The molecular weight of (2-Chloropropyl)benzene is 154.05493 g/mol.
Where can I buy (2-Chloropropyl)benzene?
You can request a quote for (2-Chloropropyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Chloropropyl)benzene?
Yes, CoreyChem provides custom synthesis services for (2-Chloropropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.