2,3,6-Trichloro-4-tert-butyltoluene
TL;DR: 2,3,6-Trichloro-4-tert-butyltoluene (CAS 61468-36-8) is a chemical compound with molecular formula C11H13Cl3 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2,3,5-trichloro-4-methylbenzene
Also Known As: 2,3,6-Ttbt, 2,3,6-Trichloro-4-tert-butyltoluene, 4-t-butyl-2,3,6-trichlorotoluene, 1-tert-butyl-2,3,5-trichloro-4-methylbenzene, 4-tert-butyl-2,3,6-trichlorotoluene
| Molecular Formula | C11H13Cl3 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.00829 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 61468-36-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1Cl)Cl)C(C)(C)C)Cl |
| InChIKey | NXRBRXDRSZQRQH-UHFFFAOYSA-N |
Product Overview
2,3,6-Trichloro-4-tert-butyltoluene (CAS 61468-36-8), with molecular formula C11H13Cl3 and molecular weight 250.01 g/mol. IUPAC: 1-tert-butyl-2,3,5-trichloro-4-methylbenzene.
Chemical Property Profile of 2,3,6-Trichloro-4-tert-butyltoluene
Property Insights of 2,3,6-Trichloro-4-tert-butyltoluene
The XLogP value of 5.8 indicates that 2,3,6-Trichloro-4-tert-butyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,6-Trichloro-4-tert-butyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trichloro-4-tert-butyltoluene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,6-Trichloro-4-tert-butyltoluene?
The CAS number of 2,3,6-Trichloro-4-tert-butyltoluene is 61468-36-8.
What is the molecular formula of 2,3,6-Trichloro-4-tert-butyltoluene?
The molecular formula of 2,3,6-Trichloro-4-tert-butyltoluene is C11H13Cl3.
What is the molecular weight of 2,3,6-Trichloro-4-tert-butyltoluene?
The molecular weight of 2,3,6-Trichloro-4-tert-butyltoluene is 250.01 g/mol.
Where can I buy 2,3,6-Trichloro-4-tert-butyltoluene?
You can request a quote for 2,3,6-Trichloro-4-tert-butyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trichloro-4-tert-butyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trichloro-4-tert-butyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.