1,3-Dibromopropane
TL;DR: 1,3-Dibromopropane (CAS 109-64-8) is a chemical compound with molecular formula C3H6Br2 and molecular weight 199.88364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibromopropane
Also Known As: 1,3-DIBROMOPROPANE, Trimethylene bromide, Trimethylene dibromide, Propane, 1,3-dibromo-, 1,3-dibrompropan
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6Br2 |
| Molecular Weight | 199.88364 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.88158 Da |
| Heavy Atoms | 5 |
| Complexity | 12.0 |
| Melting Point | -36 °C |
| Boiling Point | 167 °C |
| Density | 1.9712 g/cu cm at 15 °C |
| Flash Point | Flash point: -34.4 °C |
| Vapor Pressure | 1.36 [mmHg] |
| Refractive Index | Index of refraction = 1.5249 at 15 °C |
| Solubility | 1.68 g/L in water at 30 °C. Soluble in alcohol and ether |
| SMILES | C(CBr)CBr |
| InChIKey | VEFLKXRACNJHOV-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dibromopropane 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-Dibromopropane (CAS 109-64-8) has the molecular formula C3H6Br2 and a molecular weight of 199.88 g/mol. Reported properties include a density of 1.9712 g/cu cm at 15 °C g/cm³, a solubility: 1.68 g/L in water at 30 °C. Soluble in alcohol and ether. Synonyms include 1,3-DIBROMOPROPANE and Trimethylene bromide.
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-Dibromopropane
Property Insights of 1,3-Dibromopropane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibromopropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dibromopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromopropane 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 1,3-Dibromopropane?
The CAS number of 1,3-Dibromopropane is 109-64-8.
What is the molecular formula of 1,3-Dibromopropane?
The molecular formula of 1,3-Dibromopropane is C3H6Br2.
What is the molecular weight of 1,3-Dibromopropane?
The molecular weight of 1,3-Dibromopropane is 199.88364 g/mol.
What are the applications of 1,3-Dibromopropane?
1,3-Dibromopropane 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-Dibromopropane?
You can request a quote for 1,3-Dibromopropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dibromopropane?
Yes, CoreyChem provides custom synthesis services for 1,3-Dibromopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.