五溴甲苯
TL;DR: 五溴甲苯 (CAS 87-83-2) is a chemical compound with molecular formula C7H3Br5 and molecular weight 481.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五溴甲苯
1,2,3,4,5-pentabromo-6-methylbenzene
Also Known As: Pentabromotoluene, 2,3,4,5,6-PENTABROMOTOLUENE, Flammex 5bt, Pentabromomethylbenzene, Benzene, pentabromomethyl-
| Molecular Formula | C7H3Br5 |
|---|---|
| Molecular Weight | 481.62 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 485.61105 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| Melting Point | 287.8 °C |
| Density | 2.97 at 17.2 °C |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| Vapor Pressure | 0.0000108 [mmHg] |
Chemical Identifiers
| CAS Number | 87-83-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | OZHJEQVYCBTHJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五溴甲苯 (CAS 87-83-2), with molecular formula C7H3Br5 and molecular weight 481.62 g/mol. IUPAC: 1,2,3,4,5-pentabromo-6-methylbenzene.
Chemical Property Profile of 五溴甲苯
Property Insights of 五溴甲苯
The XLogP value of 5.7 indicates that 五溴甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 五溴甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五溴甲苯 has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 五溴甲苯?
The CAS number of 五溴甲苯 is 87-83-2.
What is the molecular formula of 五溴甲苯?
The molecular formula of 五溴甲苯 is C7H3Br5.
What is the molecular weight of 五溴甲苯?
The molecular weight of 五溴甲苯 is 481.62 g/mol.
Where can I buy 五溴甲苯?
You can request a quote for 五溴甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五溴甲苯?
Yes, KEHONG BIO provides custom synthesis services for 五溴甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.