Pentabromotoluene
TL;DR: Pentabromotoluene (CAS 87-83-2) is a chemical compound with molecular formula C7H3Br5 and molecular weight 481.61517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentabromo-6-methylbenzene
Also Known As: Pentabromotoluene, 2,3,4,5,6-PENTABROMOTOLUENE, Flammex 5bt, Pentabromomethylbenzene, Benzene, pentabromomethyl-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Br5 |
| Molecular Weight | 481.61517 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 485.61105 Da |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| Melting Point | 550 °F (NTP, 1992) |
| Density | 2.97 at 63 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.0000108 [mmHg] |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| SMILES | CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | OZHJEQVYCBTHJT-UHFFFAOYSA-N |
Product Description
Applications: Pentabromotoluene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentabromotoluene (CAS 87-83-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pentabromotoluene (CAS 87-83-2) is a polymer intermediate with the molecular formula C7H3Br5 and a molecular weight of 481.62 g/mol. Key physical properties include a density of 2.97 at 63 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (<1 mg/ml) (NTP, 1992). It is also known as Pentabromotoluene and 2,3,4,5,6-PENTABROMOTOLUENE.
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 Pentabromotoluene
Property Insights of Pentabromotoluene
The XLogP value of 5.7 indicates that Pentabromotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentabromotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromotoluene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentabromotoluene?
The CAS number of Pentabromotoluene is 87-83-2.
What is the molecular formula of Pentabromotoluene?
The molecular formula of Pentabromotoluene is C7H3Br5.
What is the molecular weight of Pentabromotoluene?
The molecular weight of Pentabromotoluene is 481.61517 g/mol.
What are the applications of Pentabromotoluene?
Pentabromotoluene is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentabromotoluene (CAS 87-83-2) with custom synthesis available...
Where can I buy Pentabromotoluene?
You can request a quote for Pentabromotoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentabromotoluene?
Yes, CoreyChem provides custom synthesis services for Pentabromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.