Allyl bromide
TL;DR: Allyl bromide (CAS 106-95-6) is a chemical compound with molecular formula C3H5Br and molecular weight 119.95746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromoprop-1-ene
Also Known As: ALLYL BROMIDE, 3-Bromopropene, 3-bromoprop-1-ene, 3-Bromopropylene, Bromallylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5Br |
| Molecular Weight | 119.95746 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.95746 Da |
| Heavy Atoms | 4 |
| Complexity | 17.0 |
| Melting Point | -182 °F (USCG, 1999) |
| Boiling Point | 158 °F at 760 mmHg (USCG, 1999) |
| Density | 1.4161 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 28 °F (USCG, 1999) |
| Vapor Pressure | 136.0 [mmHg] |
| Refractive Index | Index of refraction: 1.46545 at 20 deg C/D |
| Solubility | Miscible with alcohol, chloroform, ether, carbon disulfide, carbon tetrachloride |
| SMILES | C=CCBr |
| InChIKey | BHELZAPQIKSEDF-UHFFFAOYSA-N |
Product Description
Applications: Allyl bromide 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. CoreyChem supplies Allyl bromide (CAS 106-95-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Allyl bromide is a heterocyclic building block identified by CAS number 106-95-6 and the molecular formula C3H5Br and a molecular weight of 119.96 g/mol. Physically, the compound has a density of 1.4161 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Miscible with alcohol, chloroform, ether, carbon disulfide, carbon tetrachloride. It is also known as ALLYL BROMIDE and 3-Bromopropene.
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 Allyl bromide
Property Insights of Allyl bromide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl bromide. With a topological polar surface area (TPSA) of 0.0 Ų, Allyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl bromide 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 Allyl bromide?
The CAS number of Allyl bromide is 106-95-6.
What is the molecular formula of Allyl bromide?
The molecular formula of Allyl bromide is C3H5Br.
What is the molecular weight of Allyl bromide?
The molecular weight of Allyl bromide is 119.95746 g/mol.
What are the applications of Allyl bromide?
Allyl bromide 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. CoreyChem supplies Allyl bromide (CAS 106-95-6) with custom...
Where can I buy Allyl bromide?
You can request a quote for Allyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl bromide?
Yes, CoreyChem provides custom synthesis services for Allyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.