间溴代二甲苯
TL;DR: 间溴代二甲苯 (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.
间溴代二甲苯
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
间溴代二甲苯 (CAS 620-13-3), with molecular formula C8H9Br and molecular weight 183.99 g/mol. IUPAC: 1-(bromomethyl)-3-methylbenzene.
Chemical Property Profile of 间溴代二甲苯
Property Insights of 间溴代二甲苯
The XLogP value of 3.0 indicates that 间溴代二甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 间溴代二甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间溴代二甲苯 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 间溴代二甲苯?
The CAS number of 间溴代二甲苯 is 620-13-3.
What is the molecular formula of 间溴代二甲苯?
The molecular formula of 间溴代二甲苯 is C8H9Br.
What is the molecular weight of 间溴代二甲苯?
The molecular weight of 间溴代二甲苯 is 183.99 g/mol.
Where can I buy 间溴代二甲苯?
You can request a quote for 间溴代二甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间溴代二甲苯?
Yes, KEHONG BIO provides custom synthesis services for 间溴代二甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.