p,p'-DDCN
TL;DR: p,p'-DDCN (CAS 20968-04-1) is a chemical compound with molecular formula C14H9Cl2N and molecular weight 261.0112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(4-chlorophenyl)acetonitrile
Also Known As: 2,2-bis(4-chlorophenyl)acetonitrile, BIS(P-CHLOROPHENYL)ACETONITRILE, p,p'-Ddcn, bis(4-chlorophenyl)acetonitrile, Benzeneacetonitrile, 4-chloro-alpha-(4-chlorophenyl)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H9Cl2N |
| Molecular Weight | 261.0112 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0112 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)Cl |
| InChIKey | FOWHYJUXPOOLJN-UHFFFAOYSA-N |
Product Description
Applications: p,p'-DDCN is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
p,p'-DDCN (CAS 20968-04-1) is a heterocyclic building block with the molecular formula C14H9Cl2N and a molecular weight of 261.01 g/mol. Synonyms include 2,2-bis(4-chlorophenyl)acetonitrile and BIS(P-CHLOROPHENYL)ACETONITRILE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of p,p'-DDCN
Property Insights of p,p'-DDCN
The XLogP value of 4.7 indicates that p,p'-DDCN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, p,p'-DDCN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p,p'-DDCN 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 p,p'-DDCN?
The CAS number of p,p'-DDCN is 20968-04-1.
What is the molecular formula of p,p'-DDCN?
The molecular formula of p,p'-DDCN is C14H9Cl2N.
What is the molecular weight of p,p'-DDCN?
The molecular weight of p,p'-DDCN is 261.0112 g/mol.
What are the applications of p,p'-DDCN?
p,p'-DDCN is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy p,p'-DDCN?
You can request a quote for p,p'-DDCN directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p,p'-DDCN?
Yes, CoreyChem provides custom synthesis services for p,p'-DDCN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.