1,2-Dichloro-4-(2-nitrovinyl)benzene
TL;DR: 1,2-Dichloro-4-(2-nitrovinyl)benzene (CAS 37630-23-2) is a chemical compound with molecular formula C8H5Cl2NO2 and molecular weight 216.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(2-nitroethenyl)benzene
Also Known As: 1,2-dichloro-4-(2-nitrovinyl)benzene, 3,4-dichloro-beta-nitrostyrene, 3,4-Dichloro-w-nitrostyrene, 1,2-dichloro-4-(2-nitroethenyl)benzene, trans-3,4-Dichloro-beta-nitrostyrene-
| Molecular Formula | C8H5Cl2NO2 |
|---|---|
| Molecular Weight | 216.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.96973 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 37630-23-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C[N+](=O)[O-])Cl)Cl |
| InChIKey | XHGCFWXSHIHYFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-4-(2-nitrovinyl)benzene (CAS 37630-23-2), with molecular formula C8H5Cl2NO2 and molecular weight 216.97 g/mol. IUPAC: 1,2-dichloro-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1,2-Dichloro-4-(2-nitrovinyl)benzene
Property Insights of 1,2-Dichloro-4-(2-nitrovinyl)benzene
The XLogP value of 3.4 indicates that 1,2-Dichloro-4-(2-nitrovinyl)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, 1,2-Dichloro-4-(2-nitrovinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-(2-nitrovinyl)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 1,2-Dichloro-4-(2-nitrovinyl)benzene?
The CAS number of 1,2-Dichloro-4-(2-nitrovinyl)benzene is 37630-23-2.
What is the molecular formula of 1,2-Dichloro-4-(2-nitrovinyl)benzene?
The molecular formula of 1,2-Dichloro-4-(2-nitrovinyl)benzene is C8H5Cl2NO2.
What is the molecular weight of 1,2-Dichloro-4-(2-nitrovinyl)benzene?
The molecular weight of 1,2-Dichloro-4-(2-nitrovinyl)benzene is 216.97 g/mol.
Where can I buy 1,2-Dichloro-4-(2-nitrovinyl)benzene?
You can request a quote for 1,2-Dichloro-4-(2-nitrovinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-(2-nitrovinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-(2-nitrovinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.