2-Bromotoluene
TL;DR: 2-Bromotoluene (CAS 95-46-5) 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.
1-bromo-2-methylbenzene
Also Known As: 2-BROMOTOLUENE, o-Bromotoluene, 1-Bromo-2-methylbenzene, o-Tolyl bromide, 2-Methylbromobenzene
| Molecular Formula | C7H7Br |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 3.5 |
| 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 | -26.1 °C |
| Boiling Point | 181.1 °C at 760 mmHg |
| Density | 1.431 at 15.0 °C |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| Flash Point | 78.9 °C |
| Vapor Pressure | 1 mmHg at 24.4 °C |
| Refractive Index | 1.5565 AT 20 °C |
Chemical Identifiers
| CAS Number | 95-46-5 |
|---|---|
| SMILES | CC1=CC=CC=C1Br |
| InChIKey | QSSXJPIWXQTSIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromotoluene (CAS 95-46-5), with molecular formula C7H7Br and molecular weight 169.97 g/mol. IUPAC: 1-bromo-2-methylbenzene.
Chemical Property Profile of 2-Bromotoluene
Property Insights of 2-Bromotoluene
The XLogP value of 3.5 indicates that 2-Bromotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromotoluene 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 2-Bromotoluene?
The CAS number of 2-Bromotoluene is 95-46-5.
What is the molecular formula of 2-Bromotoluene?
The molecular formula of 2-Bromotoluene is C7H7Br.
What is the molecular weight of 2-Bromotoluene?
The molecular weight of 2-Bromotoluene is 169.97 g/mol.
Where can I buy 2-Bromotoluene?
You can request a quote for 2-Bromotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.