2-Formylterephthalonitrile
TL;DR: 2-Formylterephthalonitrile (CAS 164932-42-7) is a chemical compound with molecular formula C9H4N2O and molecular weight 156.03236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-formylbenzene-1,4-dicarbonitrile
Also Known As: 2-Formylterephthalonitrile, 2,5-Dicyanobenzaldehyde, 2-formylbenzene-1,4-dicarbonitrile, 2-Formylterephthalonitrile #, 1,4-Benzenedicarbonitrile, 2-formyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H4N2O |
| Molecular Weight | 156.03236 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03236 Da |
| Heavy Atoms | 12 |
| Complexity | 267.0 |
| SMILES | C1=CC(=C(C=C1C#N)C=O)C#N |
| InChIKey | IJRZHESCEKKNGQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Formylterephthalonitrile
Property Insights of 2-Formylterephthalonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formylterephthalonitrile. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formylterephthalonitrile. Following Lipinski's Rule of Five, 2-Formylterephthalonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Formylterephthalonitrile?
The CAS number of 2-Formylterephthalonitrile is 164932-42-7.
What is the molecular formula of 2-Formylterephthalonitrile?
The molecular formula of 2-Formylterephthalonitrile is C9H4N2O.
What is the molecular weight of 2-Formylterephthalonitrile?
The molecular weight of 2-Formylterephthalonitrile is 156.03236 g/mol.
Where can I buy 2-Formylterephthalonitrile?
You can request a quote for 2-Formylterephthalonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Formylterephthalonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Formylterephthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.