1-(Bromomethyl)-2-chloro-4-nitrobenzene
TL;DR: 1-(Bromomethyl)-2-chloro-4-nitrobenzene (CAS 42533-63-1) 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-(bromomethyl)-2-chloro-4-nitrobenzene
Also Known As: 1-(Bromomethyl)-2-chloro-4-nitrobenzene, 2-Chloro-4-nitrobenzyl bromide, EINECS 255-874-8, 4-bromomethyl-3-chloro nitrobenzene, 1-(Bromomethyl)-2-chloro-4-nitro-benzene
| Molecular Formula | C7H5BrClNO2 |
|---|---|
| Molecular Weight | 248.92 g/mol |
| LogP | 3.1431 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.91922 |
| Heavy Atoms | 12 |
| Complexity | 316.27472 |
Chemical Identifiers
| CAS Number | 42533-63-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)CBr |
Product Overview
1-(Bromomethyl)-2-chloro-4-nitrobenzene (CAS 42533-63-1), with molecular formula C7H5BrClNO2 and molecular weight 248.92 g/mol. IUPAC: 1-(bromomethyl)-2-chloro-4-nitrobenzene.
Chemical Property Profile of 1-(Bromomethyl)-2-chloro-4-nitrobenzene
Property Insights of 1-(Bromomethyl)-2-chloro-4-nitrobenzene
The XLogP value of 3.1431 indicates that 1-(Bromomethyl)-2-chloro-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(Bromomethyl)-2-chloro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-2-chloro-4-nitrobenzene 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 1-(Bromomethyl)-2-chloro-4-nitrobenzene?
The CAS number of 1-(Bromomethyl)-2-chloro-4-nitrobenzene is 42533-63-1.
What is the molecular formula of 1-(Bromomethyl)-2-chloro-4-nitrobenzene?
The molecular formula of 1-(Bromomethyl)-2-chloro-4-nitrobenzene is C7H5BrClNO2.
What is the molecular weight of 1-(Bromomethyl)-2-chloro-4-nitrobenzene?
The molecular weight of 1-(Bromomethyl)-2-chloro-4-nitrobenzene is 248.92 g/mol.
Where can I buy 1-(Bromomethyl)-2-chloro-4-nitrobenzene?
You can request a quote for 1-(Bromomethyl)-2-chloro-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-2-chloro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-2-chloro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.