Tribromotoluene
TL;DR: Tribromotoluene (CAS 27476-22-8) is a chemical compound with molecular formula C21H15Br9 and molecular weight 977.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-tribromo-5-methylbenzene;1,2,5-tribromo-3-methylbenzene;1,3,5-tribromo-2-methylbenzene
Also Known As: TRIBROMOTOLUENE, 1,2,3-tribromo-5-methylbenzene; 1,2,5-tribromo-3-methylbenzene; 1,3,5-tribromo-2-methylbenzene
| Molecular Formula | C21H15Br9 |
|---|---|
| Molecular Weight | 977.38 g/mol |
| LogP | 12.85 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 985.3742 |
| Heavy Atoms | 30 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 27476-22-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)Br)Br.CC1=CC(=CC(=C1Br)Br)Br.CC1=C(C=C(C=C1Br)Br)Br |
| InChIKey | HHPUADFPUXGYTC-UHFFFAOYSA-N |
Product Overview
Tribromotoluene (CAS 27476-22-8), with molecular formula C21H15Br9 and molecular weight 977.38 g/mol. IUPAC: 1,2,3-tribromo-5-methylbenzene;1,2,5-tribromo-3-methylbenzene;1,3,5-tribromo-2-methylbenzene.
Chemical Property Profile of Tribromotoluene
Property Insights of Tribromotoluene
The XLogP value of 12.85 indicates that Tribromotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Tribromotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tribromotoluene 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 Tribromotoluene?
The CAS number of Tribromotoluene is 27476-22-8.
What is the molecular formula of Tribromotoluene?
The molecular formula of Tribromotoluene is C21H15Br9.
What is the molecular weight of Tribromotoluene?
The molecular weight of Tribromotoluene is 977.38 g/mol.
Where can I buy Tribromotoluene?
You can request a quote for Tribromotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribromotoluene?
Yes, KEHONG BIO provides custom synthesis services for Tribromotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.