1-氯-2,4-二硝基苯
TL;DR: 1-氯-2,4-二硝基苯 (CAS 97-00-7) is a chemical compound with molecular formula C6H3ClN2O4 and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-氯-2,4-二硝基苯
1-chloro-2,4-dinitrobenzene
Also Known As: 1-chloro-2,4-dinitrobenzene, 2,4-Dinitrochlorobenzene, Dinitrochlorobenzene, DNCB, CDNB
| Molecular Formula | C6H3ClN2O4 |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.97813 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
| Melting Point | 52-54 °C |
| Boiling Point | 315 °C |
| Density | 1.7 |
| Solubility | Soluble in ether, benzene, and carbon disulfide; sparingly soluble in cold, freely soluble in hot alcohol |
| Flash Point | 194.4 °C (NFPA, 2010) |
| Vapor Pressure | 0.000085 [mmHg] |
| Refractive Index | 1.5857 at 60 °C |
Chemical Identifiers
| CAS Number | 97-00-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-氯-2,4-二硝基苯 (CAS 97-00-7), with molecular formula C6H3ClN2O4 and molecular weight 201.98 g/mol. IUPAC: 1-chloro-2,4-dinitrobenzene.
Chemical Property Profile of 1-氯-2,4-二硝基苯
Property Insights of 1-氯-2,4-二硝基苯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-氯-2,4-二硝基苯. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-氯-2,4-二硝基苯. Following Lipinski's Rule of Five, 1-氯-2,4-二硝基苯 has 0 hydrogen bond donor(s) and 4 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-氯-2,4-二硝基苯?
The CAS number of 1-氯-2,4-二硝基苯 is 97-00-7.
What is the molecular formula of 1-氯-2,4-二硝基苯?
The molecular formula of 1-氯-2,4-二硝基苯 is C6H3ClN2O4.
What is the molecular weight of 1-氯-2,4-二硝基苯?
The molecular weight of 1-氯-2,4-二硝基苯 is 201.98 g/mol.
Where can I buy 1-氯-2,4-二硝基苯?
You can request a quote for 1-氯-2,4-二硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-氯-2,4-二硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1-氯-2,4-二硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.