1,3-Benzodioxole
TL;DR: 1,3-Benzodioxole (CAS 274-09-9) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzodioxole
Also Known As: 1,3-BENZODIOXOLE, 1,2-Methylenedioxybenzene, Benzo[d][1,3]dioxole, Benzodioxole, 1,3-Dioxaindan
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.03678 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.03678 Da |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| Vapor Pressure | 0.57 [mmHg] |
| SMILES | C1OC2=CC=CC=C2O1 |
| InChIKey | FTNJQNQLEGKTGD-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Benzodioxole 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, 1,3-Benzodioxole (CAS 274-09-9) has the molecular formula C7H6O2 and a molecular weight of 122.04 g/mol. Synonyms include 1,3-BENZODIOXOLE and 1,2-Methylenedioxybenzene.
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 1,3-Benzodioxole
Property Insights of 1,3-Benzodioxole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole?
The CAS number of 1,3-Benzodioxole is 274-09-9.
What is the molecular formula of 1,3-Benzodioxole?
The molecular formula of 1,3-Benzodioxole is C7H6O2.
What is the molecular weight of 1,3-Benzodioxole?
The molecular weight of 1,3-Benzodioxole is 122.03678 g/mol.
What are the applications of 1,3-Benzodioxole?
1,3-Benzodioxole 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 1,3-Benzodioxole?
You can request a quote for 1,3-Benzodioxole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.