1-tert-Butyl-2,3-dichlorobenzene
TL;DR: 1-tert-Butyl-2,3-dichlorobenzene (CAS 54932-64-8) is a chemical compound with molecular formula C10H12Cl2 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2,3-dichlorobenzene
Also Known As: 1,2-dichloro benzene, 1-tert-Butyl-2,3-dichlorobenzene, Benzene, 1-t-butyl-2,3-dichloro-, 1-tert-Butyl-2,3-dichlorobenzene #, 1,2-Dichloro(1,1-dimethylethyl)benzene
| Molecular Formula | C10H12Cl2 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0316 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 54932-64-8 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC=C1)Cl)Cl |
| InChIKey | AAZWIUBEVIULFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-2,3-dichlorobenzene (CAS 54932-64-8), with molecular formula C10H12Cl2 and molecular weight 202.03 g/mol. IUPAC: 1-tert-butyl-2,3-dichlorobenzene.
Chemical Property Profile of 1-tert-Butyl-2,3-dichlorobenzene
Property Insights of 1-tert-Butyl-2,3-dichlorobenzene
The XLogP value of 4.8 indicates that 1-tert-Butyl-2,3-dichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-tert-Butyl-2,3-dichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-2,3-dichlorobenzene 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 1-tert-Butyl-2,3-dichlorobenzene?
The CAS number of 1-tert-Butyl-2,3-dichlorobenzene is 54932-64-8.
What is the molecular formula of 1-tert-Butyl-2,3-dichlorobenzene?
The molecular formula of 1-tert-Butyl-2,3-dichlorobenzene is C10H12Cl2.
What is the molecular weight of 1-tert-Butyl-2,3-dichlorobenzene?
The molecular weight of 1-tert-Butyl-2,3-dichlorobenzene is 202.03 g/mol.
Where can I buy 1-tert-Butyl-2,3-dichlorobenzene?
You can request a quote for 1-tert-Butyl-2,3-dichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-2,3-dichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-2,3-dichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.