m-Xylyl bromide
TL;DR: m-Xylyl bromide (CAS 620-13-3) is a chemical compound with molecular formula C8H9Br and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-3-methylbenzene
Also Known As: 3-Methylbenzyl bromide, alpha-Bromo-m-xylene, M-XYLYL BROMIDE, 1-(Bromomethyl)-3-methylbenzene, 3-(Bromomethyl)toluene
| Molecular Formula | C8H9Br |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98875 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Boiling Point | 212.5 °C |
| Density | 1.3711 g/cu cm at 23 °C |
| Solubility | Insoluble in water |
| Flash Point | 82 °C (82.2 °C) - closed cup |
| Vapor Pressure | 0.19 [mmHg] |
| Refractive Index | 1.5660 at 20 °C |
Chemical Identifiers
| CAS Number | 620-13-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CBr |
| InChIKey | FWLWTILKTABGKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Xylyl bromide (CAS 620-13-3), with molecular formula C8H9Br and molecular weight 183.99 g/mol. IUPAC: 1-(bromomethyl)-3-methylbenzene.
Chemical Property Profile of m-Xylyl bromide
Property Insights of m-Xylyl bromide
The XLogP value of 3.0 indicates that m-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, m-Xylyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-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
Frequently Asked Questions
What is the CAS number of m-Xylyl bromide?
The CAS number of m-Xylyl bromide is 620-13-3.
What is the molecular formula of m-Xylyl bromide?
The molecular formula of m-Xylyl bromide is C8H9Br.
What is the molecular weight of m-Xylyl bromide?
The molecular weight of m-Xylyl bromide is 183.99 g/mol.
Where can I buy m-Xylyl bromide?
You can request a quote for m-Xylyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Xylyl bromide?
Yes, KEHONG BIO provides custom synthesis services for m-Xylyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.