4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene
TL;DR: 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene (CAS 34252-92-1) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(chloromethyl)-2-nitrobenzene
Also Known As: 4-tert-butyl-1-(chloromethyl)-2-nitrobenzene, 1- -2-nitro-4-tert-butyl-benzene, 4-tert-butyl-2-nitrobenzyl chloride, 1-(CHLOROMETHYL)-2-NITRO-4-TERT-BUTYL-BENZENE, Benzene,1-(chloromethyl)-4-(1,1-dimethylethyl)-2-nitro-
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 34252-92-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)CCl)[N+](=O)[O-] |
| InChIKey | GHFQQNFGCXPTLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene (CAS 34252-92-1), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: 4-tert-butyl-1-(chloromethyl)-2-nitrobenzene.
Chemical Property Profile of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene
Property Insights of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene
The XLogP value of 3.8 indicates that 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-1-(chloromethyl)-2-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 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene?
The CAS number of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene is 34252-92-1.
What is the molecular formula of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene?
The molecular formula of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene is C11H14ClNO2.
What is the molecular weight of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene?
The molecular weight of 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene is 227.07 g/mol.
Where can I buy 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene?
You can request a quote for 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-1-(chloromethyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.