Dinitrofluorobenzene
TL;DR: Dinitrofluorobenzene (CAS 70-34-8) is a chemical compound with molecular formula C6H3FN2O4 and molecular weight 186.00769 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-2,4-dinitrobenzene
Also Known As: 2,4-Dinitrofluorobenzene, 1-FLUORO-2,4-DINITROBENZENE, Dinitrofluorobenzene, FDNB, Sanger's Reagent
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H3FN2O4 |
| Molecular Weight | 186.00769 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.00769 Da |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
| Melting Point | 81.5 to 86.0 °F (NTP, 1992) |
| Boiling Point | 565 °F at 760 mmHg ; 352 °F at 25 mmHg ; 271 °F at 2 mmHg (NTP, 1992) |
| Density | 1.482 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | 0.0024 [mmHg] |
| Refractive Index | Index of refraction: 1.5690 at 20 °C |
| Solubility | 0.1 to 1.0 mg/mL at 67.5 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F |
| InChIKey | LOTKRQAVGJMPNV-UHFFFAOYSA-N |
Product Description
Applications: Dinitrofluorobenzene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dinitrofluorobenzene (CAS 70-34-8) is a pharmaceutical intermediate with the molecular formula C6H3FN2O4 and a molecular weight of 186.01 g/mol. Key physical properties include a density of 1.482 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: 0.1 to 1.0 mg/mL at 67.5 °F (NTP, 1992). Synonyms include 2,4-Dinitrofluorobenzene and 1-FLUORO-2,4-DINITROBENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dinitrofluorobenzene
Property Insights of Dinitrofluorobenzene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrofluorobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitrofluorobenzene. Following Lipinski's Rule of Five, Dinitrofluorobenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dinitrofluorobenzene?
The CAS number of Dinitrofluorobenzene is 70-34-8.
What is the molecular formula of Dinitrofluorobenzene?
The molecular formula of Dinitrofluorobenzene is C6H3FN2O4.
What is the molecular weight of Dinitrofluorobenzene?
The molecular weight of Dinitrofluorobenzene is 186.00769 g/mol.
What are the applications of Dinitrofluorobenzene?
Dinitrofluorobenzene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dinitrofluorobenzene?
You can request a quote for Dinitrofluorobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dinitrofluorobenzene?
Yes, CoreyChem provides custom synthesis services for Dinitrofluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.