2,3-Dichloro-2-methylpropanenitrile
TL;DR: 2,3-Dichloro-2-methylpropanenitrile (CAS 6092-39-3) is a chemical compound with molecular formula C4H5Cl2N and molecular weight 136.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-2-methylpropanenitrile
Also Known As: 2,3-dichloro-2-methylpropanenitrile, 2,3-Dichloro-2-methylpropiononitrile, alpha,beta-dichloro-isobutyronitrile, Propanenitrile,2,3-dichloro-2-methyl-, EINECS 228-035-9
| Molecular Formula | C4H5Cl2N |
|---|---|
| Molecular Weight | 136.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.9799 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 6092-39-3 |
|---|---|
| SMILES | CC(CCl)(C#N)Cl |
| InChIKey | UABGZMHKAQKPDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloro-2-methylpropanenitrile (CAS 6092-39-3), with molecular formula C4H5Cl2N and molecular weight 136.98 g/mol. IUPAC: 2,3-dichloro-2-methylpropanenitrile.
Chemical Property Profile of 2,3-Dichloro-2-methylpropanenitrile
Property Insights of 2,3-Dichloro-2-methylpropanenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-2-methylpropanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3-Dichloro-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloro-2-methylpropanenitrile 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-Dichloro-2-methylpropanenitrile?
The CAS number of 2,3-Dichloro-2-methylpropanenitrile is 6092-39-3.
What is the molecular formula of 2,3-Dichloro-2-methylpropanenitrile?
The molecular formula of 2,3-Dichloro-2-methylpropanenitrile is C4H5Cl2N.
What is the molecular weight of 2,3-Dichloro-2-methylpropanenitrile?
The molecular weight of 2,3-Dichloro-2-methylpropanenitrile is 136.98 g/mol.
Where can I buy 2,3-Dichloro-2-methylpropanenitrile?
You can request a quote for 2,3-Dichloro-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloro-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.