2-Chloro-2-nitrobutane
TL;DR: 2-Chloro-2-nitrobutane (CAS 22236-53-9) is a chemical compound with molecular formula C4H8ClNO2 and molecular weight 137.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-nitrobutane
Also Known As: 2-Chloro-2-nitrobutane, BUTANE, 2-CHLORO-2-NITRO-, BUTANE,2-CHLORO-2-NITRO, 4-01-00-00279 (Beilstein Handbook Reference), RefChem:1062742
| Molecular Formula | C4H8ClNO2 |
|---|---|
| Molecular Weight | 137.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.02435 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 22236-53-9 |
|---|---|
| SMILES | CCC(C)([N+](=O)[O-])Cl |
| InChIKey | LOLZOITWNMWSFG-UHFFFAOYSA-N |
Product Overview
2-Chloro-2-nitrobutane (CAS 22236-53-9), with molecular formula C4H8ClNO2 and molecular weight 137.02 g/mol. IUPAC: 2-chloro-2-nitrobutane.
Chemical Property Profile of 2-Chloro-2-nitrobutane
Property Insights of 2-Chloro-2-nitrobutane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-nitrobutane. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Chloro-2-nitrobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2-nitrobutane has 0 hydrogen bond donor(s) and 2 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-Chloro-2-nitrobutane?
The CAS number of 2-Chloro-2-nitrobutane is 22236-53-9.
What is the molecular formula of 2-Chloro-2-nitrobutane?
The molecular formula of 2-Chloro-2-nitrobutane is C4H8ClNO2.
What is the molecular weight of 2-Chloro-2-nitrobutane?
The molecular weight of 2-Chloro-2-nitrobutane is 137.02 g/mol.
Where can I buy 2-Chloro-2-nitrobutane?
You can request a quote for 2-Chloro-2-nitrobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-nitrobutane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-nitrobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.