1,3-Dibromo-2-propanol
TL;DR: 1,3-Dibromo-2-propanol (CAS 96-21-9) is a chemical compound with molecular formula C3H6Br2O and molecular weight 215.87854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibromopropan-2-ol
Also Known As: 1,3-Dibromo-2-propanol, 1,3-Dibromopropan-2-ol, 1,3-Dibromohydrin, alpha-Dibromohydrin, 2-Propanol, 1,3-dibromo-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6Br2O |
| Molecular Weight | 215.87854 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.8765 Da |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
| SMILES | C(C(CBr)O)Br |
| InChIKey | KIHQZLPHVZKELA-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dibromo-2-propanol 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).
1,3-Dibromo-2-propanol (CAS 96-21-9) is a heterocyclic building block with the molecular formula C3H6Br2O and a molecular weight of 215.88 g/mol. Synonyms include 1,3-Dibromo-2-propanol and 1,3-Dibromopropan-2-ol.
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-Dibromo-2-propanol
Property Insights of 1,3-Dibromo-2-propanol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibromo-2-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1,3-Dibromo-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibromo-2-propanol has 1 hydrogen bond donor(s) and 1 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-Dibromo-2-propanol?
The CAS number of 1,3-Dibromo-2-propanol is 96-21-9.
What is the molecular formula of 1,3-Dibromo-2-propanol?
The molecular formula of 1,3-Dibromo-2-propanol is C3H6Br2O.
What is the molecular weight of 1,3-Dibromo-2-propanol?
The molecular weight of 1,3-Dibromo-2-propanol is 215.87854 g/mol.
What are the applications of 1,3-Dibromo-2-propanol?
1,3-Dibromo-2-propanol 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-Dibromo-2-propanol?
You can request a quote for 1,3-Dibromo-2-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dibromo-2-propanol?
Yes, CoreyChem provides custom synthesis services for 1,3-Dibromo-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.