1-Chloro-3-(trichloromethyl)benzene
TL;DR: 1-Chloro-3-(trichloromethyl)benzene (CAS 2136-81-4) is a chemical compound with molecular formula C7H4Cl4 and molecular weight 227.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(trichloromethyl)benzene
Also Known As: 3-Chlorobenzotrichloride, 3-Chloro benzotrichloride, 1-Chloro-3-(trichloromethyl)benzene, Not Available, m-Chlorobenzotrichloride
| Molecular Formula | C7H4Cl4 |
|---|---|
| Molecular Weight | 227.91 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.90376 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 2136-81-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(Cl)(Cl)Cl |
| InChIKey | ZVPXXRHACIEOFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-(trichloromethyl)benzene (CAS 2136-81-4), with molecular formula C7H4Cl4 and molecular weight 227.91 g/mol. IUPAC: 1-chloro-3-(trichloromethyl)benzene.
Chemical Property Profile of 1-Chloro-3-(trichloromethyl)benzene
Property Insights of 1-Chloro-3-(trichloromethyl)benzene
The XLogP value of 4.5 indicates that 1-Chloro-3-(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-Chloro-3-(trichloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(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-Chloro-3-(trichloromethyl)benzene?
The CAS number of 1-Chloro-3-(trichloromethyl)benzene is 2136-81-4.
What is the molecular formula of 1-Chloro-3-(trichloromethyl)benzene?
The molecular formula of 1-Chloro-3-(trichloromethyl)benzene is C7H4Cl4.
What is the molecular weight of 1-Chloro-3-(trichloromethyl)benzene?
The molecular weight of 1-Chloro-3-(trichloromethyl)benzene is 227.91 g/mol.
Where can I buy 1-Chloro-3-(trichloromethyl)benzene?
You can request a quote for 1-Chloro-3-(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-Chloro-3-(trichloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(trichloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.