1-Naphthaleneacetonitrile
TL;DR: 1-Naphthaleneacetonitrile (CAS 132-75-2) is a chemical compound with molecular formula C12H9N and molecular weight 167.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-naphthalen-1-ylacetonitrile
Also Known As: 1-Naphthylacetonitrile, 2-(Naphthalen-1-yl)acetonitrile, 1-Naphthyl acetonitrile, 1-NAPHTHALENEACETONITRILE, 2-Naphthylacetonitrile
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9N |
| Molecular Weight | 167.0735 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0735 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC#N |
| InChIKey | OQRMWUNUKVUHQO-UHFFFAOYSA-N |
Product Description
Applications: 1-Naphthaleneacetonitrile 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. CoreyChem supplies 1-Naphthaleneacetonitrile (CAS 132-75-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Naphthaleneacetonitrile is a heterocyclic building block identified by CAS number 132-75-2 and the molecular formula C12H9N and a molecular weight of 167.07 g/mol. It is also known as 1-Naphthylacetonitrile and 2-(Naphthalen-1-yl)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 1-Naphthaleneacetonitrile
Property Insights of 1-Naphthaleneacetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthaleneacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthaleneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetonitrile 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-Naphthaleneacetonitrile?
The CAS number of 1-Naphthaleneacetonitrile is 132-75-2.
What is the molecular formula of 1-Naphthaleneacetonitrile?
The molecular formula of 1-Naphthaleneacetonitrile is C12H9N.
What is the molecular weight of 1-Naphthaleneacetonitrile?
The molecular weight of 1-Naphthaleneacetonitrile is 167.0735 g/mol.
What are the applications of 1-Naphthaleneacetonitrile?
1-Naphthaleneacetonitrile 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. CoreyChem supplies 1-Naphthaleneacetonitrile...
Where can I buy 1-Naphthaleneacetonitrile?
You can request a quote for 1-Naphthaleneacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Naphthaleneacetonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Naphthaleneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.