m-Tert-butyl chlorobenzene
TL;DR: m-Tert-butyl chlorobenzene (CAS 3972-55-2) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-chlorobenzene
Also Known As: m-Tert-butyl chlorobenzene, 1-(tert-Butyl)-3-chlorobenzene, 1-tert-butyl-3-chlorobenzene, m-chloro t-butylbenzene, meta-chloro-tert-butylbenzene
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 3972-55-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)Cl |
| InChIKey | KYXNATZCTBFSTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Tert-butyl chlorobenzene (CAS 3972-55-2), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 1-tert-butyl-3-chlorobenzene.
Chemical Property Profile of m-Tert-butyl chlorobenzene
Property Insights of m-Tert-butyl chlorobenzene
The XLogP value of 4.6 indicates that m-Tert-butyl chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, m-Tert-butyl chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Tert-butyl chlorobenzene 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 m-Tert-butyl chlorobenzene?
The CAS number of m-Tert-butyl chlorobenzene is 3972-55-2.
What is the molecular formula of m-Tert-butyl chlorobenzene?
The molecular formula of m-Tert-butyl chlorobenzene is C10H13Cl.
What is the molecular weight of m-Tert-butyl chlorobenzene?
The molecular weight of m-Tert-butyl chlorobenzene is 168.07 g/mol.
Where can I buy m-Tert-butyl chlorobenzene?
You can request a quote for m-Tert-butyl chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Tert-butyl chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for m-Tert-butyl chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.