1-Chloro-2,4-Dinitrobenzene
TL;DR: 1-Chloro-2,4-Dinitrobenzene (CAS 97-00-7) is a chemical compound with molecular formula C6H3ClN2O4 and molecular weight 201.97813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2,4-dinitrobenzene
Also Known As: 1-chloro-2,4-dinitrobenzene, 2,4-Dinitrochlorobenzene, Dinitrochlorobenzene, DNCB, CDNB
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3ClN2O4 |
| Molecular Weight | 201.97813 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.97813 Da |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
| Melting Point | 52-54 °C |
| Boiling Point | 315 °C |
| Density | 1.7 |
| Flash Point | 382 °F (NFPA, 2010) |
| Vapor Pressure | 0.000085 [mmHg] |
| Refractive Index | Index of refraction: 1.5857 at 60 °C/D |
| Solubility | Soluble in ether, benzene, and carbon disulfide; sparingly soluble in cold, freely soluble in hot alcohol |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
Product Description
Applications: 1-Chloro-2,4-Dinitrobenzene is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-2,4-Dinitrobenzene (CAS 97-00-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Chloro-2,4-Dinitrobenzene is a pharmaceutical intermediate identified by CAS number 97-00-7 and the molecular formula C6H3ClN2O4 and a molecular weight of 201.98 g/mol. Physically, the compound has a density of 1.7 g/cm³, a solubility: Soluble in ether, benzene, and carbon disulfide; sparingly soluble in cold, freely soluble in hot alcohol. It is also known as 1-chloro-2,4-dinitrobenzene and 2,4-Dinitrochlorobenzene.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Chloro-2,4-Dinitrobenzene
Property Insights of 1-Chloro-2,4-Dinitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,4-Dinitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2,4-Dinitrobenzene. Following Lipinski's Rule of Five, 1-Chloro-2,4-Dinitrobenzene 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
What is the CAS number of 1-Chloro-2,4-Dinitrobenzene?
The CAS number of 1-Chloro-2,4-Dinitrobenzene is 97-00-7.
What is the molecular formula of 1-Chloro-2,4-Dinitrobenzene?
The molecular formula of 1-Chloro-2,4-Dinitrobenzene is C6H3ClN2O4.
What is the molecular weight of 1-Chloro-2,4-Dinitrobenzene?
The molecular weight of 1-Chloro-2,4-Dinitrobenzene is 201.97813 g/mol.
What are the applications of 1-Chloro-2,4-Dinitrobenzene?
1-Chloro-2,4-Dinitrobenzene is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Chloro-2,4-Dinitrobenzene (CAS 97-00-7) with...
Where can I buy 1-Chloro-2,4-Dinitrobenzene?
You can request a quote for 1-Chloro-2,4-Dinitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2,4-Dinitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2,4-Dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.