Acetyl bromide
TL;DR: Acetyl bromide (CAS 506-96-7) is a chemical compound with molecular formula C2H3BrO and molecular weight 121.93673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetyl bromide
Also Known As: ACETYL BROMIDE, Acetylbromide, Ethanoyl bromide, Bromideacetyl, Acetic acid, bromide
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H3BrO |
| Molecular Weight | 121.93673 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.93673 Da |
| Heavy Atoms | 4 |
| Complexity | 33.0 |
| Melting Point | -141.7 °F (USCG, 1999) |
| Boiling Point | 169 °F at 760 mmHg (USCG, 1999) |
| Density | 1.66 at 60.8 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 110 °C (230 °F) - closed cup |
| Vapor Pressure | 122.0 [mmHg] |
| Refractive Index | Index of refraction: 1.4486 at 20 °C/D |
| Solubility | Violently decomposed by water or alcohol |
| SMILES | CC(=O)Br |
| InChIKey | FXXACINHVKSMDR-UHFFFAOYSA-N |
Product Description
Applications: Acetyl 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 Acetyl bromide (CAS 506-96-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Acetyl bromide is a heterocyclic building block identified by CAS number 506-96-7 and the molecular formula C2H3BrO and a molecular weight of 121.94 g/mol. Physically, the compound has a density of 1.66 at 60.8 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: Violently decomposed by water or alcohol. It is also known as ACETYL BROMIDE and Acetylbromide.
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 Acetyl bromide
Property Insights of Acetyl bromide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl bromide. With a topological polar surface area (TPSA) of 17.1 Ų, Acetyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl bromide has 0 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 Acetyl bromide?
The CAS number of Acetyl bromide is 506-96-7.
What is the molecular formula of Acetyl bromide?
The molecular formula of Acetyl bromide is C2H3BrO.
What is the molecular weight of Acetyl bromide?
The molecular weight of Acetyl bromide is 121.93673 g/mol.
What are the applications of Acetyl bromide?
Acetyl 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 Acetyl bromide (CAS 506-96-7) with...
Where can I buy Acetyl bromide?
You can request a quote for Acetyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetyl bromide?
Yes, CoreyChem provides custom synthesis services for Acetyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.