(3-Chloropropyl)benzene
TL;DR: (3-Chloropropyl)benzene (CAS 104-52-9) 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.
3-chloropropylbenzene
Also Known As: 1-Chloro-3-phenylpropane, (3-CHLOROPROPYL)BENZENE, 3-Phenylpropyl chloride, 3-chloropropylbenzene, Hydrocinnamyl chloride
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11Cl |
| Molecular Weight | 154.05493 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.05493 Da |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
| SMILES | C1=CC=C(C=C1)CCCCl |
| InChIKey | XZBXAYCCBFTQHH-UHFFFAOYSA-N |
Product Description
Applications: (3-Chloropropyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, (3-Chloropropyl)benzene (CAS 104-52-9) has the molecular formula C9H11Cl and a molecular weight of 154.05 g/mol. Synonyms include 1-Chloro-3-phenylpropane and (3-CHLOROPROPYL)BENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (3-Chloropropyl)benzene
Property Insights of (3-Chloropropyl)benzene
The XLogP value of 3.5 indicates that (3-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, (3-Chloropropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-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 (3-Chloropropyl)benzene?
The CAS number of (3-Chloropropyl)benzene is 104-52-9.
What is the molecular formula of (3-Chloropropyl)benzene?
The molecular formula of (3-Chloropropyl)benzene is C9H11Cl.
What is the molecular weight of (3-Chloropropyl)benzene?
The molecular weight of (3-Chloropropyl)benzene is 154.05493 g/mol.
What are the applications of (3-Chloropropyl)benzene?
(3-Chloropropyl)benzene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy (3-Chloropropyl)benzene?
You can request a quote for (3-Chloropropyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chloropropyl)benzene?
Yes, CoreyChem provides custom synthesis services for (3-Chloropropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.