alpha-Bromo-o-chlorotoluene
TL;DR: alpha-Bromo-o-chlorotoluene (CAS 611-17-6) is a chemical compound with molecular formula C7H6BrCl and molecular weight 203.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2-chlorobenzene
Also Known As: 2-Chlorobenzyl bromide, 1-(Bromomethyl)-2-chlorobenzene, o-Chlorobenzyl bromide, 2-chlorobenzylbromide, 2chlorobenzyl bromide
| Molecular Formula | C7H6BrCl |
|---|---|
| Molecular Weight | 203.93 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.93414 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| Boiling Point | BP: 120 °C at 10 mm Hg |
| Density | 1.583 g/mL at 25 °C |
| Solubility | Soluble in chloroform; benzene |
| Flash Point | 109 °C (108.9 °C) - closed cup |
| Refractive Index | = 1.5920 |
Chemical Identifiers
| CAS Number | 611-17-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CBr)Cl |
| InChIKey | PURSZYWBIQIANP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Bromo-o-chlorotoluene (CAS 611-17-6), with molecular formula C7H6BrCl and molecular weight 203.93 g/mol. IUPAC: 1-(bromomethyl)-2-chlorobenzene.
Chemical Property Profile of alpha-Bromo-o-chlorotoluene
Property Insights of alpha-Bromo-o-chlorotoluene
The XLogP value of 3.1 indicates that alpha-Bromo-o-chlorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Bromo-o-chlorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Bromo-o-chlorotoluene 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 alpha-Bromo-o-chlorotoluene?
The CAS number of alpha-Bromo-o-chlorotoluene is 611-17-6.
What is the molecular formula of alpha-Bromo-o-chlorotoluene?
The molecular formula of alpha-Bromo-o-chlorotoluene is C7H6BrCl.
What is the molecular weight of alpha-Bromo-o-chlorotoluene?
The molecular weight of alpha-Bromo-o-chlorotoluene is 203.93 g/mol.
Where can I buy alpha-Bromo-o-chlorotoluene?
You can request a quote for alpha-Bromo-o-chlorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Bromo-o-chlorotoluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Bromo-o-chlorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.