(E)-3-(2,4-Dichlorophenyl)acrylonitrile
TL;DR: (E)-3-(2,4-Dichlorophenyl)acrylonitrile (CAS 132605-02-8) is a chemical compound with molecular formula C9H5Cl2N and molecular weight 196.9799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,4-dichlorophenyl)prop-2-enenitrile
Also Known As: 2,4-dichlorocinnamonitrile, trans-2,4-dichlorocinnamonitrile, 3-(2,4-Dichloro-phenyl)-acrylonitrile, IDI1_017778, (E)-3-(2,4-DICHLOROPHENYL)ACRYLONITRILE
Technical Specifications
| Molecular Formula | C9H5Cl2N |
| Molecular Weight | 196.9799 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.9799 Da |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)/C=C/C#N |
| InChIKey | BJDODEOWCFKBBK-OWOJBTEDSA-N |
Chemical Property Profile of (E)-3-(2,4-Dichlorophenyl)acrylonitrile
Property Insights of (E)-3-(2,4-Dichlorophenyl)acrylonitrile
The XLogP value of 3.1 indicates that (E)-3-(2,4-Dichlorophenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (E)-3-(2,4-Dichlorophenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2,4-Dichlorophenyl)acrylonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(2,4-Dichlorophenyl)acrylonitrile?
The CAS number of (E)-3-(2,4-Dichlorophenyl)acrylonitrile is 132605-02-8.
What is the molecular formula of (E)-3-(2,4-Dichlorophenyl)acrylonitrile?
The molecular formula of (E)-3-(2,4-Dichlorophenyl)acrylonitrile is C9H5Cl2N.
What is the molecular weight of (E)-3-(2,4-Dichlorophenyl)acrylonitrile?
The molecular weight of (E)-3-(2,4-Dichlorophenyl)acrylonitrile is 196.9799 g/mol.
Where can I buy (E)-3-(2,4-Dichlorophenyl)acrylonitrile?
You can request a quote for (E)-3-(2,4-Dichlorophenyl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2,4-Dichlorophenyl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2,4-Dichlorophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.