1,3-Dichloro-2-fluoro-5-nitrobenzene
1,3-dichloro-2-fluoro-5-nitrobenzene · uoro-1-nitrob · 3,5-Dichloro-4-fluoro-1-nitrob · 5-Dichloro-4-fluoronitrobenzene · 3,5-DICHLORO-4-FLUORONITROBENZENE · 2,6-DICHLORO-P-NITROFLUOROBENZENE · 4-Fluoro-3,5-dichloronitrobenzene · 3,5 dichloro 4-Fluoro Nirto Benzene
Identifiers & Physical Properties
| CAS No. | 3107-19-5 |
|---|---|
| Molecular formula | C6H2Cl2FNO2 |
| Average molar mass | 209.99 g/mol |
| Monoisotopic mass | 208.94466188 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1 |
| InChIKey | VMAATSFMXSMKPG-UHFFFAOYSA-N |
| PubChem CID | 76554 |
| EC No. | 221-466-3 |
| DTXSID | DTXSID00185023 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 45.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 175 |
| Melting point | 44 °C |
| Boiling point | 259.3±35.0 °C(Predicted) |
| Density | 1.622±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Powder |
| Color | White |
| CAS DataBase Reference | 3107-19-5(CAS DataBase Reference) |
| FDA UNII | 7GS7VN6LFA |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Hazard Note | Irritant |
| Customs code | 2904990090 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34697 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 2904990090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| GHS hazard statements | H315-H319-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
3,5-Dichloro-4-fluoronitrobenzene is an important synthetic chemical raw material for the synthesis of other compounds. It is commonly used in chemical factories and laboratory research.
Preparation & Synthesis
Preparation
3,5-Dichloro-4-fluoronitrobenzene can be produced by reacting persulfate with ammonium nitrate to form a phosphine salt. The phosphine salt reacts with 3,5-Dichloro-4-fluorobenzene in the presence of hydrogen peroxide to form the desired product. The reaction occurs on a large scale to produce 3,5-dichloro-4-fluoronitrobenzene in high yield.