o-Xylyl bromide
TL;DR: o-Xylyl bromide (CAS 89-92-9) is a chemical compound with molecular formula C8H9Br and molecular weight 183.98875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
邻甲基苄溴
1-(bromomethyl)-2-methylbenzene
Also Known As: 2-Methylbenzyl bromide, 1-(Bromomethyl)-2-methylbenzene, alpha-Bromo-o-xylene, O-XYLYL BROMIDE, 2-Xylyl bromide
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Br |
| Molecular Weight | 183.98875 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98875 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Melting Point | 21 °C |
| Boiling Point | 217 °C |
| Density | 1.381 g/cu cm at 23 °C |
| Flash Point | 82 °C (180 °F) - closed cup |
| Vapor Pressure | 0.15 [mmHg] |
| Refractive Index | Index of refraction: 1.5730 at 27 °C/D |
| Solubility | Insoluble in water |
| SMILES | CC1=CC=CC=C1CBr |
| InChIKey | WGVYCXYGPNNUQA-UHFFFAOYSA-N |
Product Description
Applications: o-Xylyl 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 o-Xylyl bromide (CAS 89-92-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
o-Xylyl bromide is a heterocyclic building block identified by CAS number 89-92-9 and the molecular formula C8H9Br and a molecular weight of 183.99 g/mol. Physically, the compound has a density of 1.381 g/cu cm at 23 °C g/cm³, a solubility: Insoluble in water. It is also known as 2-Methylbenzyl bromide and 1-(Bromomethyl)-2-methylbenzene.
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 o-Xylyl bromide
Property Insights of o-Xylyl bromide
The XLogP value of 3.0 indicates that o-Xylyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, o-Xylyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Xylyl 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 o-Xylyl bromide?
The CAS number of o-Xylyl bromide is 89-92-9.
What is the molecular formula of o-Xylyl bromide?
The molecular formula of o-Xylyl bromide is C8H9Br.
What is the molecular weight of o-Xylyl bromide?
The molecular weight of o-Xylyl bromide is 183.98875 g/mol.
What are the applications of o-Xylyl bromide?
o-Xylyl 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 o-Xylyl bromide (CAS 89-92-9) with...
Where can I buy o-Xylyl bromide?
You can request a quote for o-Xylyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Xylyl bromide?
Yes, CoreyChem provides custom synthesis services for o-Xylyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.