2-Bromo-4-chloro-5-nitrotoluene
TL;DR: 2-Bromo-4-chloro-5-nitrotoluene (CAS 40371-64-0) is a chemical compound with molecular formula C7H5BrClNO2 and molecular weight 248.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-5-chloro-2-methyl-4-nitrobenzene
Also Known As: 2-Bromo-4-chloro-5-nitrotoluene, 1-bromo-5-chloro-2-methyl-4-nitrobenzene, EINECS 254-893-9, Benzene, 1-bromo-5-chloro-2-methyl-4-nitro-, 1-Bromo-2-methyl-4-nitro-5-chlorobenzene
| Molecular Formula | C7H5BrClNO2 |
|---|---|
| Molecular Weight | 248.92 g/mol |
| LogP | 3.31912 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.91922 |
| Heavy Atoms | 12 |
| Complexity | 340.4234 |
Chemical Identifiers
| CAS Number | 40371-64-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)Cl)[N+](=O)[O-] |
Product Overview
2-Bromo-4-chloro-5-nitrotoluene (CAS 40371-64-0), with molecular formula C7H5BrClNO2 and molecular weight 248.92 g/mol. IUPAC: 1-bromo-5-chloro-2-methyl-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-4-chloro-5-nitrotoluene
Property Insights of 2-Bromo-4-chloro-5-nitrotoluene
The XLogP value of 3.31912 indicates that 2-Bromo-4-chloro-5-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-4-chloro-5-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-chloro-5-nitrotoluene has 0 hydrogen bond donor(s) and 2 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 2-Bromo-4-chloro-5-nitrotoluene?
The CAS number of 2-Bromo-4-chloro-5-nitrotoluene is 40371-64-0.
What is the molecular formula of 2-Bromo-4-chloro-5-nitrotoluene?
The molecular formula of 2-Bromo-4-chloro-5-nitrotoluene is C7H5BrClNO2.
What is the molecular weight of 2-Bromo-4-chloro-5-nitrotoluene?
The molecular weight of 2-Bromo-4-chloro-5-nitrotoluene is 248.92 g/mol.
Where can I buy 2-Bromo-4-chloro-5-nitrotoluene?
You can request a quote for 2-Bromo-4-chloro-5-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-chloro-5-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-chloro-5-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.