2-Bromotoluene
TL;DR: 2-Bromotoluene (CAS 95-46-5) is a chemical compound with molecular formula C7H7Br and molecular weight 169.97311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-methylbenzene
Also Known As: 2-BROMOTOLUENE, o-Bromotoluene, 1-Bromo-2-methylbenzene, o-Tolyl bromide, 2-Methylbromobenzene
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7Br |
| Molecular Weight | 169.97311 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.97311 Da |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| Melting Point | -15 °F (NTP, 1992) |
| Boiling Point | 358 °F at 760 mmHg (NTP, 1992) |
| Density | 1.431 at 59 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 174 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 75.9 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.5565 AT 20 °C/D |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
| SMILES | CC1=CC=CC=C1Br |
| InChIKey | QSSXJPIWXQTSIX-UHFFFAOYSA-N |
Product Description
Applications: 2-Bromotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Bromotoluene (CAS 95-46-5) has the molecular formula C7H7Br and a molecular weight of 169.97 g/mol. Reported properties include a density of 1.431 at 59 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 59 °F (NTP, 1992). Synonyms include 2-BROMOTOLUENE and o-Bromotoluene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 169.97311 g/mol.
What are the applications of 2-Bromotoluene?
2-Bromotoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 2-Bromotoluene?
You can request a quote for 2-Bromotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromotoluene?
Yes, CoreyChem provides custom synthesis services for 2-Bromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.