1,2-二氯-4-硝基苯
TL;DR: 1,2-二氯-4-硝基苯 (CAS 99-54-7) 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.
1,2-二氯-4-硝基苯
1,2-dichloro-4-nitrobenzene
Also Known As: 1,2-Dichloro-4-nitrobenzene, 3,4-DICHLORONITROBENZENE, DCNB, 1-Nitro-3,4-dichlorobenzene, Benzene, 1,2-dichloro-4-nitro-
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 3.1 |
| 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 | 159.0 |
| Melting Point | 42.8 °C |
| Boiling Point | 491 to 256.1 °C at 760 mmHg |
| Density | 1.4558 at 75.0 °C |
| Solubility | less than 0.1 mg/mL at 74.3 °F (NTP, 1992) |
| Flash Point | 123.9 °C |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 99-54-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| InChIKey | NTBYINQTYWZXLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-二氯-4-硝基苯 (CAS 99-54-7), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 1,2-dichloro-4-nitrobenzene.
Chemical Property Profile of 1,2-二氯-4-硝基苯
Property Insights of 1,2-二氯-4-硝基苯
The XLogP value of 3.1 indicates that 1,2-二氯-4-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, 1,2-二氯-4-硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二氯-4-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 1,2-二氯-4-硝基苯?
The CAS number of 1,2-二氯-4-硝基苯 is 99-54-7.
What is the molecular formula of 1,2-二氯-4-硝基苯?
The molecular formula of 1,2-二氯-4-硝基苯 is C6H3Cl2NO2.
What is the molecular weight of 1,2-二氯-4-硝基苯?
The molecular weight of 1,2-二氯-4-硝基苯 is 190.95 g/mol.
Where can I buy 1,2-二氯-4-硝基苯?
You can request a quote for 1,2-二氯-4-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 1,2-二氯-4-硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氯-4-硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.