1-Chloro-1-nitropropane
TL;DR: 1-Chloro-1-nitropropane (CAS 600-25-9) is a chemical compound with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1-nitropropane
Also Known As: 1-CHLORO-1-NITROPROPANE, Chloronitropropane, Korax, Propane, 1-chloro-1-nitro-, LANSTAN
| Molecular Formula | C3H6ClNO2 |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.008705 |
| Heavy Atoms | 7 |
| Complexity | 69.0 |
| Boiling Point | 286 to 142.8 °C at 760 mmHg |
| Density | 1.2 |
| Solubility | 1 to 5 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 62.2 °C |
| Vapor Pressure | 5.8 mmHg at 25.0 °C |
| Refractive Index | 1.4251 AT 20 °C |
Chemical Identifiers
| CAS Number | 600-25-9 |
|---|---|
| SMILES | CCC([N+](=O)[O-])Cl |
| InChIKey | XEKUXTMJEFPWCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1-nitropropane (CAS 600-25-9), with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol. IUPAC: 1-chloro-1-nitropropane.
Chemical Property Profile of 1-Chloro-1-nitropropane
Property Insights of 1-Chloro-1-nitropropane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1-nitropropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Chloro-1-nitropropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1-nitropropane 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 1-Chloro-1-nitropropane?
The CAS number of 1-Chloro-1-nitropropane is 600-25-9.
What is the molecular formula of 1-Chloro-1-nitropropane?
The molecular formula of 1-Chloro-1-nitropropane is C3H6ClNO2.
What is the molecular weight of 1-Chloro-1-nitropropane?
The molecular weight of 1-Chloro-1-nitropropane is 123.01 g/mol.
Where can I buy 1-Chloro-1-nitropropane?
You can request a quote for 1-Chloro-1-nitropropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1-nitropropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1-nitropropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.