1-Bromo-2-methyl-3-(trifluoromethyl)benzene
TL;DR: 1-Bromo-2-methyl-3-(trifluoromethyl)benzene (CAS 69902-83-6) is a chemical compound with molecular formula C8H6BrF3 and molecular weight 237.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-methyl-3-(trifluoromethyl)benzene
Also Known As: 1-bromo-2-methyl-3-(trifluoromethyl)benzene, 3-Bromo-2-methylbenzotrifluoride, 2-methyl-3-(trifluoromethyl)bromobenzene, 2-Methyl-3- bromobenzene, 3-Bromo-2-methyltrifluoride
| Molecular Formula | C8H6BrF3 |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 3.77632 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.9605 |
| Heavy Atoms | 12 |
| Complexity | 290.84473 |
Chemical Identifiers
| CAS Number | 69902-83-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Br)C(F)(F)F |
Product Overview
1-Bromo-2-methyl-3-(trifluoromethyl)benzene (CAS 69902-83-6), with molecular formula C8H6BrF3 and molecular weight 237.96 g/mol. IUPAC: 1-bromo-2-methyl-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene
Property Insights of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene
The XLogP value of 3.77632 indicates that 1-Bromo-2-methyl-3-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-methyl-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-methyl-3-(trifluoromethyl)benzene 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
Frequently Asked Questions
What is the CAS number of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene?
The CAS number of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene is 69902-83-6.
What is the molecular formula of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene?
The molecular formula of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene is C8H6BrF3.
What is the molecular weight of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene?
The molecular weight of 1-Bromo-2-methyl-3-(trifluoromethyl)benzene is 237.96 g/mol.
Where can I buy 1-Bromo-2-methyl-3-(trifluoromethyl)benzene?
You can request a quote for 1-Bromo-2-methyl-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-methyl-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-methyl-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.