1-Naphthalenecarbonitrile
TL;DR: 1-Naphthalenecarbonitrile (CAS 86-53-3) is a chemical compound with molecular formula C11H7N and molecular weight 153.05785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
naphthalene-1-carbonitrile
Also Known As: 1-Naphthonitrile, 1-Cyanonaphthalene, Naphthalene-1-carbonitrile, 1-NAPHTHALENECARBONITRILE, 1-Naphthylnitrile
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H7N |
| Molecular Weight | 153.05785 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.05785 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C#N |
| InChIKey | YJMNOKOLADGBKA-UHFFFAOYSA-N |
Product Description
Applications: 1-Naphthalenecarbonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Naphthalenecarbonitrile (CAS 86-53-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1-Naphthalenecarbonitrile (CAS 86-53-3) has the molecular formula C11H7N and a molecular weight of 153.06 g/mol. It is also known as 1-Naphthonitrile and 1-Cyanonaphthalene.
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 1-Naphthalenecarbonitrile
Property Insights of 1-Naphthalenecarbonitrile
The XLogP value of 3.3 indicates that 1-Naphthalenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthalenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbonitrile 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 1-Naphthalenecarbonitrile?
The CAS number of 1-Naphthalenecarbonitrile is 86-53-3.
What is the molecular formula of 1-Naphthalenecarbonitrile?
The molecular formula of 1-Naphthalenecarbonitrile is C11H7N.
What is the molecular weight of 1-Naphthalenecarbonitrile?
The molecular weight of 1-Naphthalenecarbonitrile is 153.05785 g/mol.
What are the applications of 1-Naphthalenecarbonitrile?
1-Naphthalenecarbonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1-Naphthalenecarbonitrile?
You can request a quote for 1-Naphthalenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Naphthalenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Naphthalenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.