四溴双酚A
TL;DR: 四溴双酚A (CAS 79-94-7) is a chemical compound with molecular formula C15H12Br4O2 and molecular weight 539.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四溴双酚A
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
Also Known As: Tetrabromobisphenol A, Bromdian, Tetrabromodian, 3,3',5,5'-Tetrabromobisphenol A, Firemaster BP 4A
| Molecular Formula | C15H12Br4O2 |
|---|---|
| Molecular Weight | 539.76 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 543.753 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
| Melting Point | 356 to 183.9 °C |
| Boiling Point | ~316 °C (decomposes at 200-300 °C) |
| Density | 2.2 kg/L at 4 °C |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| Flash Point | 178 °C |
| Vapor Pressure | 4.68X10-8 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 79-94-7 |
|---|---|
| SMILES | CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br |
| InChIKey | VEORPZCZECFIRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四溴双酚A (CAS 79-94-7), with molecular formula C15H12Br4O2 and molecular weight 539.76 g/mol. IUPAC: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol.
Chemical Property Profile of 四溴双酚A
Property Insights of 四溴双酚A
The XLogP value of 6.8 indicates that 四溴双酚A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 四溴双酚A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四溴双酚A has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 四溴双酚A?
The CAS number of 四溴双酚A is 79-94-7.
What is the molecular formula of 四溴双酚A?
The molecular formula of 四溴双酚A is C15H12Br4O2.
What is the molecular weight of 四溴双酚A?
The molecular weight of 四溴双酚A is 539.76 g/mol.
Where can I buy 四溴双酚A?
You can request a quote for 四溴双酚A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四溴双酚A?
Yes, KEHONG BIO provides custom synthesis services for 四溴双酚A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.