2-Nitro-4-(trifluoromethyl)benzyl bromide
TL;DR: 2-Nitro-4-(trifluoromethyl)benzyl bromide (CAS 162333-02-0) is a chemical compound with molecular formula C8H5BrF3NO2 and molecular weight 282.9456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(bromomethyl)-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 2-Nitro-4-(trifluoromethyl)benzyl bromide, 1-(bromomethyl)-2-nitro-4-(trifluoromethyl)benzene, 2-nitro-4-trifluoromethylbromobenzene, Benzene, 1-(bromomethyl)-2-nitro-4-(trifluoromethyl)-, 2-NTRO-4-(TRIFLROMETHL)BENZ 1G.
Technical Specifications
| Molecular Formula | C8H5BrF3NO2 |
| Molecular Weight | 282.9456 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.9456 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CBr |
| InChIKey | XAEZZJSUMIHJQS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-4-(trifluoromethyl)benzyl bromide
Property Insights of 2-Nitro-4-(trifluoromethyl)benzyl bromide
The XLogP value of 3.2 indicates that 2-Nitro-4-(trifluoromethyl)benzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitro-4-(trifluoromethyl)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethyl)benzyl bromide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Nitro-4-(trifluoromethyl)benzyl bromide?
The CAS number of 2-Nitro-4-(trifluoromethyl)benzyl bromide is 162333-02-0.
What is the molecular formula of 2-Nitro-4-(trifluoromethyl)benzyl bromide?
The molecular formula of 2-Nitro-4-(trifluoromethyl)benzyl bromide is C8H5BrF3NO2.
What is the molecular weight of 2-Nitro-4-(trifluoromethyl)benzyl bromide?
The molecular weight of 2-Nitro-4-(trifluoromethyl)benzyl bromide is 282.9456 g/mol.
Where can I buy 2-Nitro-4-(trifluoromethyl)benzyl bromide?
You can request a quote for 2-Nitro-4-(trifluoromethyl)benzyl bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-4-(trifluoromethyl)benzyl bromide?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-4-(trifluoromethyl)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.