2,3-Dichloropropiononitrile
TL;DR: 2,3-Dichloropropiononitrile (CAS 2601-89-0) is a chemical compound with molecular formula C3H3Cl2N and molecular weight 122.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloropropanenitrile
Also Known As: 2,3-Dichloropropionitrile, 2,3-Dichloropropanenitrile, Propanenitrile, 2,3-dichloro-, 2,3-Dichloropropiononitrile, alpha,beta-Dichloropropionitrile
| Molecular Formula | C3H3Cl2N |
|---|---|
| Molecular Weight | 122.96 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.96426 |
| Heavy Atoms | 6 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 2601-89-0 |
|---|---|
| SMILES | C(C(C#N)Cl)Cl |
| InChIKey | RJJDLPQZNANQDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloropropiononitrile (CAS 2601-89-0), with molecular formula C3H3Cl2N and molecular weight 122.96 g/mol. IUPAC: 2,3-dichloropropanenitrile.
Chemical Property Profile of 2,3-Dichloropropiononitrile
Property Insights of 2,3-Dichloropropiononitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloropropiononitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Dichloropropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloropropiononitrile 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 2,3-Dichloropropiononitrile?
The CAS number of 2,3-Dichloropropiononitrile is 2601-89-0.
What is the molecular formula of 2,3-Dichloropropiononitrile?
The molecular formula of 2,3-Dichloropropiononitrile is C3H3Cl2N.
What is the molecular weight of 2,3-Dichloropropiononitrile?
The molecular weight of 2,3-Dichloropropiononitrile is 122.96 g/mol.
Where can I buy 2,3-Dichloropropiononitrile?
You can request a quote for 2,3-Dichloropropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloropropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloropropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.