3-溴甲苯
TL;DR: 3-溴甲苯 (CAS 591-17-3) is a chemical compound with molecular formula C7H7Br and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴甲苯
1-bromo-3-methylbenzene
Also Known As: 3-BROMOTOLUENE, m-Bromotoluene, 1-Bromo-3-methylbenzene, m-Tolyl bromide, 5-Bromotoluene
| Molecular Formula | C7H7Br |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.97311 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -40.0 °C |
| Boiling Point | 183.7 °C at 760 mmHg |
| Density | 1.41 at 20.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 60.0 °C |
| Vapor Pressure | 1 mmHg at 14.8 °C |
| Refractive Index | 1.5510 at 20 °C |
Chemical Identifiers
| CAS Number | 591-17-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)Br |
| InChIKey | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴甲苯 (CAS 591-17-3), with molecular formula C7H7Br and molecular weight 169.97 g/mol. IUPAC: 1-bromo-3-methylbenzene.
Chemical Property Profile of 3-溴甲苯
Property Insights of 3-溴甲苯
The XLogP value of 3.3 indicates that 3-溴甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-溴甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴甲苯 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 3-溴甲苯?
The CAS number of 3-溴甲苯 is 591-17-3.
What is the molecular formula of 3-溴甲苯?
The molecular formula of 3-溴甲苯 is C7H7Br.
What is the molecular weight of 3-溴甲苯?
The molecular weight of 3-溴甲苯 is 169.97 g/mol.
Where can I buy 3-溴甲苯?
You can request a quote for 3-溴甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴甲苯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.