4-(3,5-Dichlorophenyl)benzonitrile
TL;DR: 4-(3,5-Dichlorophenyl)benzonitrile (CAS 1025992-48-6) is a chemical compound with molecular formula C13H7Cl2N and molecular weight 246.99556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,5-dichlorophenyl)benzonitrile
Also Known As: 4-(3,5-dichlorophenyl)benzonitrile, 4-cyano-3',5'-dichlorobiphenyl, [1,1'-Biphenyl]-4-carbonitrile, 3',5'-dichloro-, B-8482, 3',5'-Dichloro[1,1'-biphenyl]-4-carbonitrile
Technical Specifications
| Molecular Formula | C13H7Cl2N |
| Molecular Weight | 246.99556 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.99556 Da |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC(=CC(=C2)Cl)Cl |
| InChIKey | BDRRCKFRNRAPCB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,5-Dichlorophenyl)benzonitrile
Property Insights of 4-(3,5-Dichlorophenyl)benzonitrile
The XLogP value of 4.5 indicates that 4-(3,5-Dichlorophenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(3,5-Dichlorophenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Dichlorophenyl)benzonitrile 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 4-(3,5-Dichlorophenyl)benzonitrile?
The CAS number of 4-(3,5-Dichlorophenyl)benzonitrile is 1025992-48-6.
What is the molecular formula of 4-(3,5-Dichlorophenyl)benzonitrile?
The molecular formula of 4-(3,5-Dichlorophenyl)benzonitrile is C13H7Cl2N.
What is the molecular weight of 4-(3,5-Dichlorophenyl)benzonitrile?
The molecular weight of 4-(3,5-Dichlorophenyl)benzonitrile is 246.99556 g/mol.
Where can I buy 4-(3,5-Dichlorophenyl)benzonitrile?
You can request a quote for 4-(3,5-Dichlorophenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,5-Dichlorophenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3,5-Dichlorophenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.