Chlorocyanoacetylene
TL;DR: Chlorocyanoacetylene (CAS 2003-31-8) is a chemical compound with molecular formula C(#CCl)C#N and molecular weight 84.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroprop-2-ynenitrile
Also Known As: Chlorocyanoacetylene, ClC.equiv.CCN, Cyanoethynyl chloride, 3-chloroprop-2-ynenitrile, Propiolonitrile, chloro-
| Molecular Formula | C(#CCl)C#N |
|---|---|
| Molecular Weight | 84.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.971924 |
| Heavy Atoms | 5 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 2003-31-8 |
|---|---|
| SMILES | C(#CCl)C#N |
| InChIKey | XJKVOBGMBLGZQB-UHFFFAOYSA-N |
Product Overview
Chlorocyanoacetylene (CAS 2003-31-8), with molecular formula C(#CCl)C#N and molecular weight 84.97 g/mol. IUPAC: 3-chloroprop-2-ynenitrile.
Chemical Property Profile of Chlorocyanoacetylene
Property Insights of Chlorocyanoacetylene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorocyanoacetylene. With a topological polar surface area (TPSA) of 23.8 Ų, Chlorocyanoacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorocyanoacetylene 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
Frequently Asked Questions
What is the CAS number of Chlorocyanoacetylene?
The CAS number of Chlorocyanoacetylene is 2003-31-8.
What is the molecular formula of Chlorocyanoacetylene?
The molecular formula of Chlorocyanoacetylene is C(#CCl)C#N.
What is the molecular weight of Chlorocyanoacetylene?
The molecular weight of Chlorocyanoacetylene is 84.97 g/mol.
Where can I buy Chlorocyanoacetylene?
You can request a quote for Chlorocyanoacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorocyanoacetylene?
Yes, KEHONG BIO provides custom synthesis services for Chlorocyanoacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.