Benzene, pentachloro(chloromethyl)-
TL;DR: Benzene, pentachloro(chloromethyl)- (CAS 2136-78-9) is a chemical compound with molecular formula C7H2Cl6 and molecular weight 295.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-(chloromethyl)benzene
Also Known As: Pentachloro(chloromethyl)benzene, pentachlorobenzyl chloride, NCIOpen2_004947, Benzene, pentachloro(chloromethyl)-, 1,2,3,4,5-Pentachloro-6-(chloromethyl)benzene
| Molecular Formula | C7H2Cl6 |
|---|---|
| Molecular Weight | 295.83 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.8258 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 2136-78-9 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | ZULBFSSEZXLFIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, pentachloro(chloromethyl)- (CAS 2136-78-9), with molecular formula C7H2Cl6 and molecular weight 295.83 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-(chloromethyl)benzene.
Chemical Property Profile of Benzene, pentachloro(chloromethyl)-
Property Insights of Benzene, pentachloro(chloromethyl)-
The XLogP value of 5.5 indicates that Benzene, pentachloro(chloromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, pentachloro(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, pentachloro(chloromethyl)- 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 Benzene, pentachloro(chloromethyl)-?
The CAS number of Benzene, pentachloro(chloromethyl)- is 2136-78-9.
What is the molecular formula of Benzene, pentachloro(chloromethyl)-?
The molecular formula of Benzene, pentachloro(chloromethyl)- is C7H2Cl6.
What is the molecular weight of Benzene, pentachloro(chloromethyl)-?
The molecular weight of Benzene, pentachloro(chloromethyl)- is 295.83 g/mol.
Where can I buy Benzene, pentachloro(chloromethyl)-?
You can request a quote for Benzene, pentachloro(chloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, pentachloro(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, pentachloro(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.