2,6-二氯硝基苯
TL;DR: 2,6-二氯硝基苯 (CAS 601-88-7) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯硝基苯
1,3-dichloro-2-nitrobenzene
Also Known As: 1,3-Dichloro-2-nitrobenzene, 2,6-Dichloronitrobenzene, 1,3-Dichloro-2-nitro-benzene, Benzene, 1,3-dichloronitro-, 2,6-Dichlornitrobenzol
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.95409 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| Melting Point | 72.5 °C |
| Boiling Point | at 1.1kPa: 130 °C |
| Density | Relative density (water = 1): 1.6 |
Chemical Identifiers
| CAS Number | 601-88-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl |
| InChIKey | VITSNECNFNNVQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯硝基苯 (CAS 601-88-7), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 1,3-dichloro-2-nitrobenzene.
Chemical Property Profile of 2,6-二氯硝基苯
Property Insights of 2,6-二氯硝基苯
The XLogP value of 3.0 indicates that 2,6-二氯硝基苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,6-二氯硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯硝基苯 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 2,6-二氯硝基苯?
The CAS number of 2,6-二氯硝基苯 is 601-88-7.
What is the molecular formula of 2,6-二氯硝基苯?
The molecular formula of 2,6-二氯硝基苯 is C6H3Cl2NO2.
What is the molecular weight of 2,6-二氯硝基苯?
The molecular weight of 2,6-二氯硝基苯 is 190.95 g/mol.
Where can I buy 2,6-二氯硝基苯?
You can request a quote for 2,6-二氯硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.