1-(Dichloromethyl)-2-(trichloromethyl)benzene
TL;DR: 1-(Dichloromethyl)-2-(trichloromethyl)benzene (CAS 2741-57-3) is a chemical compound with molecular formula C8H5Cl5 and molecular weight 275.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dichloromethyl)-2-(trichloromethyl)benzene
Also Known As: 1-(Dichloromethyl)-2-(trichloromethyl)benzene, H-D-ALA-D-LEU-OH, 2-(Dichloromethyl)benzotrichloride, C(Cl)(Cl)(Cl)c1ccccc1C(Cl)Cl, Benzene, 1-(dichloromethyl)-2-(trichloromethyl)-
| Molecular Formula | C8H5Cl5 |
|---|---|
| Molecular Weight | 275.88 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.88043 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 2741-57-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | UXMNSLMVCBBGCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dichloromethyl)-2-(trichloromethyl)benzene (CAS 2741-57-3), with molecular formula C8H5Cl5 and molecular weight 275.88 g/mol. IUPAC: 1-(dichloromethyl)-2-(trichloromethyl)benzene.
Chemical Property Profile of 1-(Dichloromethyl)-2-(trichloromethyl)benzene
Property Insights of 1-(Dichloromethyl)-2-(trichloromethyl)benzene
The XLogP value of 4.7 indicates that 1-(Dichloromethyl)-2-(trichloromethyl)benzene 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-(Dichloromethyl)-2-(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dichloromethyl)-2-(trichloromethyl)benzene 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-(Dichloromethyl)-2-(trichloromethyl)benzene?
The CAS number of 1-(Dichloromethyl)-2-(trichloromethyl)benzene is 2741-57-3.
What is the molecular formula of 1-(Dichloromethyl)-2-(trichloromethyl)benzene?
The molecular formula of 1-(Dichloromethyl)-2-(trichloromethyl)benzene is C8H5Cl5.
What is the molecular weight of 1-(Dichloromethyl)-2-(trichloromethyl)benzene?
The molecular weight of 1-(Dichloromethyl)-2-(trichloromethyl)benzene is 275.88 g/mol.
Where can I buy 1-(Dichloromethyl)-2-(trichloromethyl)benzene?
You can request a quote for 1-(Dichloromethyl)-2-(trichloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dichloromethyl)-2-(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dichloromethyl)-2-(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.