2,3-Butadienenitrile
TL;DR: 2,3-Butadienenitrile (CAS 1001-56-5) is a chemical compound with molecular formula C=C=CC#N and molecular weight 65.02655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
buta-2,3-dienenitrile
Also Known As: Cyanoallene, 2,3-butadienenitrile, buta-2,3-dienenitrile, butadiene-nitrile, propadienyl cyanide
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C=C=CC#N |
| Molecular Weight | 65.02655 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 65.02655 Da |
| Heavy Atoms | 5 |
| Complexity | 98.0 |
| SMILES | C=C=CC#N |
| InChIKey | IRLQAJPIHBZROB-UHFFFAOYSA-N |
Product Description
Applications: 2,3-Butadienenitrile is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. 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).
A polymer intermediate supplied by CoreyChem, 2,3-Butadienenitrile (CAS 1001-56-5) has the molecular formula C=C=CC#N and a molecular weight of 65.03 g/mol. Synonyms include Cyanoallene and 2,3-butadienenitrile.
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 2,3-Butadienenitrile
Property Insights of 2,3-Butadienenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Butadienenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Butadienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Butadienenitrile 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 2,3-Butadienenitrile?
The CAS number of 2,3-Butadienenitrile is 1001-56-5.
What is the molecular formula of 2,3-Butadienenitrile?
The molecular formula of 2,3-Butadienenitrile is C=C=CC#N.
What is the molecular weight of 2,3-Butadienenitrile?
The molecular weight of 2,3-Butadienenitrile is 65.02655 g/mol.
What are the applications of 2,3-Butadienenitrile?
2,3-Butadienenitrile is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 2,3-Butadienenitrile?
You can request a quote for 2,3-Butadienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Butadienenitrile?
Yes, CoreyChem provides custom synthesis services for 2,3-Butadienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.