1-Nitro-4-(trichloroethenyl)benzene
TL;DR: 1-Nitro-4-(trichloroethenyl)benzene (CAS 4714-36-7) is a chemical compound with molecular formula C8H4Cl3NO2 and molecular weight 250.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(1,2,2-trichloroethenyl)benzene
Also Known As: 4-(Trichlorethenyl)-nitrobenzol, 1-Nitro-4-(trichloroethenyl)benzene, 1-nitro-4-(1,2,2-trichloroethenyl)benzene, 1-Nitro-4-(1,2,2-trichloroethen-1-yl)benzene
| Molecular Formula | C8H4Cl3NO2 |
|---|---|
| Molecular Weight | 250.93 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.93076 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 4714-36-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=C(Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | ZQKMSUHEUDMBST-UHFFFAOYSA-N |
Product Overview
1-Nitro-4-(trichloroethenyl)benzene (CAS 4714-36-7), with molecular formula C8H4Cl3NO2 and molecular weight 250.93 g/mol. IUPAC: 1-nitro-4-(1,2,2-trichloroethenyl)benzene.
Chemical Property Profile of 1-Nitro-4-(trichloroethenyl)benzene
Property Insights of 1-Nitro-4-(trichloroethenyl)benzene
The XLogP value of 4.1 indicates that 1-Nitro-4-(trichloroethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-4-(trichloroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(trichloroethenyl)benzene has 0 hydrogen bond donor(s) and 2 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-Nitro-4-(trichloroethenyl)benzene?
The CAS number of 1-Nitro-4-(trichloroethenyl)benzene is 4714-36-7.
What is the molecular formula of 1-Nitro-4-(trichloroethenyl)benzene?
The molecular formula of 1-Nitro-4-(trichloroethenyl)benzene is C8H4Cl3NO2.
What is the molecular weight of 1-Nitro-4-(trichloroethenyl)benzene?
The molecular weight of 1-Nitro-4-(trichloroethenyl)benzene is 250.93 g/mol.
Where can I buy 1-Nitro-4-(trichloroethenyl)benzene?
You can request a quote for 1-Nitro-4-(trichloroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(trichloroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(trichloroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.